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Murcko scaffold

Ring system with 4 rings and 22 atoms

24 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
24
With full pages
4
Scaffold SMILES

c1ccc(Cn2nc(-c3ncccn3)c3cccnc32)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(Cn2nc(-c3ncccn3)c3cccnc32)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 24 of 24 chemicals

5-Ethyl-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyrimidinamine chemical structure, C19H17FN6, CAS 256499-22-6
5-Ethyl-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyrimidinamine
CAS 256499-22-6C19H17FN6
2-[1-[(2-Fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-(propylsulfonyl)-4-pyrimidinamine chemical structure, C20H19FN6O2S, CAS 256499-06-6
2-[1-[(2-Fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-(propylsulfonyl)-4-pyrimidinamine
CAS 256499-06-6C20H19FN6O2S
Riociguat chemical structure, C20H19FN8O2, CAS 625115-55-1
Riociguat
CAS 625115-55-1C20H19FN8O2
2-(1-((2-Fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4,5,6-pyrimidinetriamine chemical structure, C17H15FN8, CAS 428854-24-4
2-(1-((2-Fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4,5,6-pyrimidinetriamine
CAS 428854-24-4C17H15FN8
Nelociguat chemical structure, C19H17FN8O2, CAS 625115-52-8
Nelociguat
CAS 625115-52-8C19H17FN8O2
Ethyl 4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinylcarbamate chemical structure, C20H19FN8O2, CAS 625115-49-3
Ethyl 4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinylcarbamate
CAS 625115-49-3C20H19FN8O2
Isopropyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)(methyl)carbamate chemical structure, C22H23FN8O2, CAS 625115-54-0
Isopropyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)(methyl)carbamate
CAS 625115-54-0C22H23FN8O2
Isopropyl 4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinylcarbamate chemical structure, C21H21FN8O2, CAS 625115-50-6
Isopropyl 4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinylcarbamate
CAS 625115-50-6C21H21FN8O2
Ethyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)(methyl)carbamate chemical structure, C21H21FN8O2, CAS 625115-53-9
Ethyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)(methyl)carbamate
CAS 625115-53-9C21H21FN8O2
2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-4,5,6-triamine trihydrochloride chemical structure, C17H18Cl3FN8, CAS 370879-46-2
2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-4,5,6-triamine trihydrochloride
CAS 370879-46-2C17H18Cl3FN8
Riociguat-d6 chemical structure, C20H19FN8O2, CAS 1304478-43-0
Riociguat-d6
CAS 1304478-43-0C20H19FN8O2
Vericiguat chemical structure, C19H16F2N8O2, CAS 1350653-20-1
Vericiguat
CAS 1350653-20-1C19H16F2N8O2
2-(5-Fluoro-1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-5-nitro-4,6-pyrimidinediamine chemical structure, C17H12F2N8O2, CAS 1350653-25-6
2-(5-Fluoro-1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-5-nitro-4,6-pyrimidinediamine
CAS 1350653-25-6C17H12F2N8O2
2-[5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine chemical structure, C17H14F2N8, CAS 1350653-30-3
2-[5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
CAS 1350653-30-3C17H14F2N8
Carbamic acid, N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-ethyl-, methyl ester chemical structure, C21H21FN8O2, CAS 1361570-27-5
Carbamic acid, N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-ethyl-, methyl ester
CAS 1361570-27-5C21H21FN8O2
Vericiguat hydrochloride chemical structure, C19H17ClF2N8O2, CAS 1350658-96-6
Vericiguat hydrochloride
CAS 1350658-96-6C19H17ClF2N8O2
Riociguat-13C-d3 chemical structure, C20H19FN8O2, CAS 2749393-44-8
Riociguat-13C-d3
CAS 2749393-44-8C20H19FN8O2
2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-N5-methylpyrimidine-4,5,6-triamine chemical structure, C18H17FN8, CAS 1702271-98-4
2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-N5-methylpyrimidine-4,5,6-triamine
CAS 1702271-98-4C18H17FN8
2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-N5,N5-dimethylpyrimidine-4,5,6-triamine chemical structure, C19H19FN8, CAS 1169770-52-8
2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-N5,N5-dimethylpyrimidine-4,5,6-triamine
CAS 1169770-52-8C19H19FN8
Methyl (4-Amino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-6-(methylamino)pyrimidin-5-yl)carbamate chemical structure, C20H19FN8O2, CAS 2514697-53-9
Methyl (4-Amino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-6-(methylamino)pyrimidin-5-yl)carbamate
CAS 2514697-53-9C20H19FN8O2
Riociguat EP impurity C chemical structure, C21H21FN8O2, CAS 2920299-23-4
Riociguat EP impurity C
CAS 2920299-23-4C21H21FN8O2
Vericiguat impurity 67 chemical structure, C18H14F2N8O, CAS 2755814-39-0
Vericiguat impurity 67
CAS 2755814-39-0C18H14F2N8O
Methyl (4-Amino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-6-((methoxycarbonyl)amino)pyrimidin-5-yl)(methyl)carbamate chemical structure, C22H21FN8O4, CAS 2518331-19-4
Methyl (4-Amino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-6-((methoxycarbonyl)amino)pyrimidin-5-yl)(methyl)carbamate
CAS 2518331-19-4C22H21FN8O4
2-Desfluoro-riociguat chemical structure, C20H20N8O2, CAS 3052969-92-0
2-Desfluoro-riociguat
CAS 3052969-92-0C20H20N8O2