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Murcko scaffold

Ring system with 4 rings and 26 atoms

39 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
39
With full pages
3
Scaffold SMILES

c1ccc(Nc2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)cc1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold c1ccc(Nc2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)cc1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 39 of 39 chemicals

N'-(4-Chloro-3-methoxyphenyl)-5-methyl-N-[4-(piperazin-1-yl)phenyl]pyrimidine-2,4-diamine chemical structure, C22H25ClN6O, CAS 936091-13-3
N'-(4-Chloro-3-methoxyphenyl)-5-methyl-N-[4-(piperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CAS 936091-13-3C22H25ClN6O
RefChem:188985 chemical structure, C26H35N7O2S, CAS 936091-14-4
RefChem:188985
CAS 936091-14-4C26H35N7O2S
N-Isopropyl-3-((5-methyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)benzenesulfonamide chemical structure, C25H33N7O2S, CAS 936091-30-4
N-Isopropyl-3-((5-methyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)benzenesulfonamide
CAS 936091-30-4C25H33N7O2S
ALK inhibitor 1 chemical structure, C23H28BrN7O3S, CAS 761436-81-1
ALK inhibitor 1
CAS 761436-81-1C23H28BrN7O3S
2-Propenamide, N-[3-[[2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]phenyl]- chemical structure, C24H27N7O, CAS 1222819-59-1
2-Propenamide, N-[3-[[2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]phenyl]-
CAS 1222819-59-1C24H27N7O
Alk-IN-12 chemical structure, C24H30ClN6O2P, CAS 1197958-53-4
Alk-IN-12
CAS 1197958-53-4C24H30ClN6O2P
Rociletinib chemical structure, C27H28F3N7O3, CAS 1374640-70-6
Rociletinib
CAS 1374640-70-6C27H28F3N7O3
ALK inhibitor 2 chemical structure, C23H28ClN7O3S, CAS 761438-38-4
ALK inhibitor 2
CAS 761438-38-4C23H28ClN7O3S
5-Chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine chemical structure, C23H28ClN6O2P, CAS 1197958-90-9
5-Chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CAS 1197958-90-9C23H28ClN6O2P
2-[[5-Chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide chemical structure, C23H28ClN7O2S, CAS 1341200-61-0
2-[[5-Chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide
CAS 1341200-61-0C23H28ClN7O2S
2-((5-Chloro-2-((4-(piperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide chemical structure, C22H24ClN7O, CAS 1439934-41-4
2-((5-Chloro-2-((4-(piperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide
CAS 1439934-41-4C22H24ClN7O
Rociletinib hydrobromide chemical structure, C27H29BrF3N7O3, CAS 1446700-26-0
Rociletinib hydrobromide
CAS 1446700-26-0C27H29BrF3N7O3
Synthesis of compound 74 chemical structure, C29H33ClN8O4, CAS 1644502-33-9
Synthesis of compound 74
CAS 1644502-33-9C29H33ClN8O4
N4-(3-Aminophenyl)-N2-(2-methoxy-4-(piperazin-1-yl)phenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine chemical structure, C22H24F3N7O, CAS 1883264-43-4
N4-(3-Aminophenyl)-N2-(2-methoxy-4-(piperazin-1-yl)phenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CAS 1883264-43-4C22H24F3N7O
tert-Butyl (3-((2-((4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)carbamate chemical structure, C29H34F3N7O4, CAS 1897443-26-3
tert-Butyl (3-((2-((4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)carbamate
CAS 1897443-26-3C29H34F3N7O4
Orb1698037 chemical structure, C26H34FN7O2S, CAS 1877286-69-5
Orb1698037
CAS 1877286-69-5C26H34FN7O2S
N-(3-((2-((4-(4-Acetylpiperazin-1-yl)-2-methoxyphenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)-2,2,2-trifluoroacetamide chemical structure, C26H25F6N7O3, CAS 2044704-50-7
N-(3-((2-((4-(4-Acetylpiperazin-1-yl)-2-methoxyphenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)-2,2,2-trifluoroacetamide
CAS 2044704-50-7C26H25F6N7O3
3-Chloro-N-(3-((2-((4-(4-(3-chloropropanoyl)piperazin-1-yl)-2-methoxyphenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)propanamide chemical structure, C28H30Cl2F3N7O3, CAS 2044702-63-6
3-Chloro-N-(3-((2-((4-(4-(3-chloropropanoyl)piperazin-1-yl)-2-methoxyphenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)propanamide
CAS 2044702-63-6C28H30Cl2F3N7O3
CTX-0294885 hydrochloride chemical structure, C22H25Cl2N7O, CAS 2319590-02-6
CTX-0294885 hydrochloride
CAS 2319590-02-6C22H25Cl2N7O
N-(2-((5-Chloro-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide chemical structure, C24H26ClN7O, CAS 2088179-99-9
N-(2-((5-Chloro-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide
CAS 2088179-99-9C24H26ClN7O
N-[2-[[5-Chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]propanamide chemical structure, C24H28ClN7O, CAS 2088180-03-2
N-[2-[[5-Chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]propanamide
CAS 2088180-03-2C24H28ClN7O
2-[[5-Chloro-2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide chemical structure, C21H24ClN7O2S, CAS 2098621-92-0
2-[[5-Chloro-2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CAS 2098621-92-0C21H24ClN7O2S
2-[[2-[4-[4-(3-Aminopropyl)piperazin-1-yl]anilino]-5-chloropyrimidin-4-yl]amino]-N-methylbenzamide chemical structure, C25H31ClN8O, CAS 2135595-04-7
2-[[2-[4-[4-(3-Aminopropyl)piperazin-1-yl]anilino]-5-chloropyrimidin-4-yl]amino]-N-methylbenzamide
CAS 2135595-04-7C25H31ClN8O
Egfr-IN-55 chemical structure, C25H25Cl2N7O2, CAS 2057423-46-6
Egfr-IN-55
CAS 2057423-46-6C25H25Cl2N7O2