SCHEMBL27490405

SCHEMBL27490405

NS(=O)(=O)c1cccc(Nc2nccc(-c3cnc4ccccn34)n2)c1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.80
IGF1R P08069 2/20 0.80
CDK1 P06493 11/20 0.57
CDK4 P11802 3/20 0.57
SLC2A1 P11166 1/20 0.56
CCNT1 O60563 5/20 0.55
CCNB1 P14635 5/20 0.55
CDK9 P50750 5/20 0.55
CCNA2 P20248 2/20 0.55
CDK7 P50613 2/20 0.55
CCNH P51946 2/20 0.55
CCNA1 P78396 2/20 0.55
MTOR P42345 4/20 0.53
SMG1 Q96Q15 4/20 0.53
IKBKB O14920 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4314123 0.89 CDK2 (1.00) CDK2IGF1RCDK1CDK4CCNT1
SCHEMBL27475478 0.83 CDK2 (0.72) CDK2IGF1RCDK1CDK4CCNT1
SCHEMBL17943211 0.83 CDK2 (0.77) CDK2IGF1RCDK1CDK4IKBKB
SCHEMBL16550119 0.82 CDK2 (0.77) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL1684897 0.82 CDK2 (0.77) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL1684782 0.82 CDK2 (0.77) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL1684802 0.82 CDK2 (1.00) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL16540727 0.82 CDK2 (0.70) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL17943223 0.82 CDK2 (0.72) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL7989223 0.81 CDK2 (0.71) CDK2IGF1RCDK1CDK4IKBKB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415744-C 2-arylamino-pyrimidines for the treatment of GSK3-related disorders ASTRAZENECA AB (SE) 2008-09-03 CN claimed
CN-1823064-A 2-arylamino-pyrimidines for the treatment of GSK 3-related disorders ASTRAZENECA AB (SE) 2006-08-23 CN claimed
CN-100415744-C 2-arylamino-pyrimidines for the treatment of GSK3-related disorders ASTRAZENECA AB (SE) 2008-09-03 CN disclosed
CN-1823064-A 2-arylamino-pyrimidines for the treatment of GSK 3-related disorders ASTRAZENECA AB (SE) 2006-08-23 CN disclosed
CN-1174981-C Imidazo [1, 2-A ] pyridine and pyrazolo [2, 3-A ] pyridine derivatives 2004-11-10 CN disclosed