SCHEMBL30176516

SCHEMBL30176516

CCc1cc2cnc(Nc3ccc(NC(C)=O)cn3)nc2n(C2CCCC2)c1=O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.68
CCND1 P24385 18/20 0.68
CCND3 P30281 10/20 0.65
CCND2 P30279 8/20 0.65
FGFR1 P11362 4/20 0.64
FGFR2 P21802 4/20 0.64
FGFR4 P22455 4/20 0.64
FGFR3 P22607 4/20 0.64
CDK2 P24941 4/20 0.62
CCNA2 P20248 3/20 0.62
CCNA1 P78396 1/20 0.55
HDAC1 Q13547 1/20 0.55
CCNE1 P24864 1/20 0.53
CDK6 Q00534 1/20 0.53

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
SCHEMBL4826637 1.00 CDK4 (0.68) CDK4CCND1CCND3CCND2FGFR1
SCHEMBL30176514 0.94 CDK4 (0.66) CDK4CCND1CCND3CCND2FGFR1
SCHEMBL4834893 0.94 CDK4 (0.66) CDK4CCND1CCND3CCND2FGFR1
SCHEMBL4835476 0.90 CDK4 (0.66) CDK4CCND1CCND3CCND2FGFR1
SCHEMBL30176557 0.90 CDK4 (0.66) CDK4CCND1CCND3CCND2FGFR1
SCHEMBL30176535 0.88 CDK4 (0.63) CDK4CCND1CCND3CCND2FGFR1
SCHEMBL30176601 0.88 CDK4 (0.66) CDK4CCND1CCND3CCND2FGFR1
SCHEMBL4828613 0.88 CDK4 (0.66) CDK4CCND1CCND3CCND2FGFR1
SCHEMBL4828624 0.88 CDK4 (0.63) CDK4CCND1CCND3CCND2FGFR1
SCHEMBL4828573 0.86 CCND1 (0.66) CDK4CCND1CCND3CCND2FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126244-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT Jiangsu Alphamab Biopharmaceuticals Co., Ltd. (CN) 2023-02-08 EP claimed
EP-4126244-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT Jiangsu Alphamab Biopharmaceuticals Co., Ltd. (CN) 2023-02-08 EP disclosed