SCHEMBL30176544

SCHEMBL30176544

CS(=O)(=O)Nc1ccc(Nc2ncc3cc(CO)c(=O)n(C4CCCC4)c3n2)nc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 19/20 0.65
CDK4 P11802 15/20 0.65
CCND2 P30279 7/20 0.65
CCND3 P30281 7/20 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 9/20 0.61
CCNE1 P24864 5/20 0.61
CDK6 Q00534 5/20 0.61
CCNT1 O60563 2/20 0.61
CDK9 P50750 2/20 0.61
CDK1 P06493 2/20 0.55
AURKA O14965 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNA2 P20248 4/20 0.54
CCNA1 P78396 2/20 0.54
RB1 P06400 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
SCHEMBL4828478 1.00 CCND1 (0.65) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL4832838 0.93 CCND1 (0.65) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL30176496 0.93 CCND1 (0.65) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL4825410 0.88 CCND1 (0.66) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL30176458 0.88 CCND1 (0.66) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL4830470 0.88 CCND1 (0.67) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL29507439 0.88 CCND1 (0.67) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL30176514 0.87 CDK4 (0.66) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL4834893 0.87 CDK4 (0.66) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL4835908 0.87 CDK4 (0.66) CCND1CDK4CCND2CCND3FGFR1

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