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Murcko scaffold

Ring system with 5 rings and 29 atoms

13 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
29
Chemicals
13
With full pages
1
Scaffold SMILES

O=c1nc(N2CCNCC2)c2ccc(-c3ccccc3)nc2n1-c1cccnc1

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 O=c1nc(N2CCNCC2)c2ccc(-c3ccccc3)nc2n1-c1cccnc1

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 13 of 13 chemicals

6-Chloro-7-(2-fluorophenyl)-1-[4-methyl-2-(1-methylethyl)-3-pyridinyl]-4-[(2S)-2-methyl-4-(1-oxo-2-propen-1-yl)-1-piperazinyl]pyrido[2,3-d]pyrimidin-2(1H)-one chemical structure, C30H30ClFN6O2, CAS 2252403-55-5
6-Chloro-7-(2-fluorophenyl)-1-[4-methyl-2-(1-methylethyl)-3-pyridinyl]-4-[(2S)-2-methyl-4-(1-oxo-2-propen-1-yl)-1-piperazinyl]pyrido[2,3-d]pyrimidin-2(1H)-one
CAS 2252403-55-5C30H30ClFN6O2
Sotorasib chemical structure, C30H30F2N6O3, CAS 2296729-00-3
Sotorasib
CAS 2296729-00-3C30H30F2N6O3
AMG510 analogue? chemical structure, C32H36F2N6O4, CAS 2387708-38-3
AMG510 analogue?
CAS 2387708-38-3C32H36F2N6O4
4-[(S)-4-Boc-2-methyl-1-piperazinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methyl-3-pyridyl)pyrido[2,3-d]pyrimidin-2(1H)-one chemical structure, C32H36F2N6O4, CAS 2252403-85-1
4-[(S)-4-Boc-2-methyl-1-piperazinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methyl-3-pyridyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CAS 2252403-85-1C32H36F2N6O4
KRAS G12C inhibitor 61 chemical structure, C31H33ClFN7O2, CAS 2300967-40-0
KRAS G12C inhibitor 61
CAS 2300967-40-0C31H33ClFN7O2
4-(4-Acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one chemical structure, C30H30F2N6O3, CAS 2387559-45-5
4-(4-Acryloyl-2-methylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one
CAS 2387559-45-5C30H30F2N6O3
4-(4-Acryloyl-2,5-dimethylpiperazin-1-yl)-7-(2-amino-6-fluorophenyl)-6-chloro-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one chemical structure, C31H33ClFN7O2, CAS 2300163-06-6
4-(4-Acryloyl-2,5-dimethylpiperazin-1-yl)-7-(2-amino-6-fluorophenyl)-6-chloro-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one
CAS 2300163-06-6C31H33ClFN7O2
tert-Butyl (3S)-4-(6-fluoro-7-(2-fluoro-6-methoxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate chemical structure, C33H38F2N6O4, CAS 2614260-21-6
tert-Butyl (3S)-4-(6-fluoro-7-(2-fluoro-6-methoxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
CAS 2614260-21-6C33H38F2N6O4
(1R)-6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)-4-((S)-2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2(1H)-one chemical structure, C27H28F2N6O2, CAS 2423110-39-6
(1R)-6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)-4-((S)-2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2(1H)-one
CAS 2423110-39-6C27H28F2N6O2
6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2(1H)-one chemical structure, C27H28F2N6O2, CAS 2833002-28-9
6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2(1H)-one
CAS 2833002-28-9C27H28F2N6O2
KRAS G12C inhibitor 49 chemical structure, C31H31ClN6O3, CAS 2761380-32-7
KRAS G12C inhibitor 49
CAS 2761380-32-7C31H31ClN6O3
J2YU5Ewn6L chemical structure, C30H31ClF2N6O3, CAS 2871794-13-5
J2YU5Ewn6L
CAS 2871794-13-5C30H31ClF2N6O3
6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)-4-((S)-2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2(1H)-one 2,2,2-trifluoroacetate chemical structure, C29H29F5N6O4, CAS 2648554-74-7
6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)-4-((S)-2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2(1H)-one 2,2,2-trifluoroacetate
CAS 2648554-74-7C29H29F5N6O4