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Murcko scaffold

3H-Pyrimido[5,4-b]indol-4(5H)-one scaffold

79 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
14
Chemicals
79
With full pages
11
Scaffold SMILES

O=c1[nH]cnc2c1[nH]c1ccccc12

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 scaffoldOpen the 3H-Pyrimido[5,4-b]indol-4(5H)-one page
Murcko scaffold O=c1[nH]cnc2c1[nH]c1ccccc12

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 48 of 79 chemicals

3-Amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one chemical structure, C10H7FN4O, CAS 331443-91-5
3-Amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CAS 331443-91-5C10H7FN4O
2-((3-Methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C13H12N4O2S, CAS 537668-08-9
2-((3-Methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CAS 537668-08-9C13H12N4O2S
3-Amino-5H-pyrimido[5,4-b]indol-4-one chemical structure, C10H8N4O, CAS 110963-32-1
3-Amino-5H-pyrimido[5,4-b]indol-4-one
CAS 110963-32-1C10H8N4O
3-Amino-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one chemical structure, C11H10N4O, CAS 98791-99-2
3-Amino-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CAS 98791-99-2C11H10N4O
3-[2-[Di(propan-2-yl)amino]ethyl]-5H-pyrimido[5,4-b]indol-4-one chemical structure, C18H24N4O, CAS 373377-63-0
3-[2-[Di(propan-2-yl)amino]ethyl]-5H-pyrimido[5,4-b]indol-4-one
CAS 373377-63-0C18H24N4O
8-Bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one chemical structure, C11H8BrN3O, CAS 418809-25-3
8-Bromo-3-methyl-5H-pyrimido[5,4-b]indol-4-one
CAS 418809-25-3C11H8BrN3O
8-Bromo-3-(3-propan-2-yloxypropyl)-5H-pyrimido[5,4-b]indol-4-one chemical structure, C16H18BrN3O2, CAS 188818-21-5
8-Bromo-3-(3-propan-2-yloxypropyl)-5H-pyrimido[5,4-b]indol-4-one
CAS 188818-21-5C16H18BrN3O2
3-(3-Ethoxypropyl)-8-fluoro-5-methylpyrimido[5,4-b]indol-4-one chemical structure, C16H18FN3O2, CAS 899397-36-5
3-(3-Ethoxypropyl)-8-fluoro-5-methylpyrimido[5,4-b]indol-4-one
CAS 899397-36-5C16H18FN3O2
2-(Ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C13H13N3OS, CAS 537668-23-8
2-(Ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
CAS 537668-23-8C13H13N3OS
2-Butylsulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one chemical structure, C15H17N3OS, CAS 537668-26-1
2-Butylsulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one
CAS 537668-26-1C15H17N3OS
Ethyl 2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)propanoate chemical structure, C16H17N3O3S, CAS 537668-43-2
Ethyl 2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)propanoate
CAS 537668-43-2C16H17N3O3S
Methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate chemical structure, C15H15N3O3S, CAS 537668-44-3
Methyl 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate
CAS 537668-44-3C15H15N3O3S
2-Butan-2-ylsulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one chemical structure, C15H17N3OS, CAS 537668-27-2
2-Butan-2-ylsulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one
CAS 537668-27-2C15H17N3OS
2-((3-Ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetic acid chemical structure, C14H13N3O3S, CAS 888432-56-2
2-((3-Ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetic acid
CAS 888432-56-2C14H13N3O3S
2-[[3-(2-Methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propylacetamide chemical structure, C18H22N4O3S, CAS 888434-16-0
2-[[3-(2-Methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propylacetamide
CAS 888434-16-0C18H22N4O3S
2-[[3-(2-Methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propan-2-ylacetamide chemical structure, C18H22N4O3S, CAS 888434-23-9
2-[[3-(2-Methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CAS 888434-23-9C18H22N4O3S
N-tert-Butyl-2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide chemical structure, C19H24N4O3S, CAS 888434-30-8
N-tert-Butyl-2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
CAS 888434-30-8C19H24N4O3S
3-(2-Methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one chemical structure, C14H15N3O2S, CAS 888434-57-9
3-(2-Methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
CAS 888434-57-9C14H15N3O2S
2-Ethylsulfanyl-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one chemical structure, C15H17N3O2S, CAS 888434-64-8
2-Ethylsulfanyl-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one
CAS 888434-64-8C15H17N3O2S
3-(2-Methoxyethyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one chemical structure, C16H19N3O2S, CAS 888434-71-7
3-(2-Methoxyethyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
CAS 888434-71-7C16H19N3O2S
2-Butylsulfanyl-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one chemical structure, C17H21N3O2S, CAS 888434-87-5
2-Butylsulfanyl-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one
CAS 888434-87-5C17H21N3O2S
2-(2-Hydroxyethylsulfanyl)-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one chemical structure, C15H17N3O3S, CAS 888435-31-2
2-(2-Hydroxyethylsulfanyl)-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one
CAS 888435-31-2C15H17N3O3S
2-((3-(2-Methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide chemical structure, C15H16N4O3S, CAS 888436-35-9
2-((3-(2-Methoxyethyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
CAS 888436-35-9C15H16N4O3S
2-((3-Allyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-methylacetamide chemical structure, C16H16N4O2S, CAS 888443-98-9
2-((3-Allyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-methylacetamide
CAS 888443-98-9C16H16N4O2S