SCHEMBL31153370

SCHEMBL31153370

C[S+]([O-])c1ncc2cc(Br)c(=O)n(C3CCCC3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 15/20 0.55
CDK2 P24941 15/20 0.55
CDK4 P11802 9/20 0.55
CCNA2 P20248 5/20 0.55
CCND3 P30281 4/20 0.53
CCND2 P30279 3/20 0.53
FGFR1 P11362 3/20 0.48
FGFR2 P21802 3/20 0.48
FGFR4 P22455 3/20 0.48
FGFR3 P22607 3/20 0.48
CCNA1 P78396 2/20 0.48
PIK3CA P42336 2/20 0.41
CCNE1 P24864 10/20 0.40
CDK6 Q00534 8/20 0.40
CCNT1 O60563 3/20 0.40
CDK9 P50750 3/20 0.40
NUAK1 O60285 1/20 0.38

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
SCHEMBL4830604 1.00 CCND1 (0.55) CCND1CDK2CDK4CCNA2CCND3
SCHEMBL4833696 0.99 CCND1 (0.54) CCND1CDK2CDK4CCNA2CCND3
SCHEMBL22200529 0.95 CCND1 (0.49) CCND1CDK2CDK4CCNA2CCND3
SCHEMBL4828668 0.87 CDK2 (0.53) CCND1CDK2CDK4CCNA2CCND3
SCHEMBL4826681 0.87 CCND1 (0.48) CCND1CDK2CDK4CCNA2CCND3
SCHEMBL29507751 0.85 CDK2 (0.40) CCND1CDK2CDK4CCNA2CCND3
SCHEMBL4835866 0.85 CCND1 (0.54) CCND1CDK2CDK4CCNA2CCND3
SCHEMBL31073291 0.83 CDK2 (0.56) CCND1CDK2CDK4CCNA2CCND3
SCHEMBL22015971 0.83 NUAK1 (0.56) CCND1CDK2CDK4CCNA2CCND3
SCHEMBL29507954 0.83 NUAK1 (0.56) CCND1CDK2CDK4CCNA2CCND3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114394966-B Pyridopyrimidinone CDK2/4/6 inhibitors 辉瑞公司 2024-10-11 CN disclosed