SCHEMBL30176505

SCHEMBL30176505

O=c1c(Br)cc2cnc(Nc3ccc(N4CCCCCC4)cn3)nc2n1C1CCCC1

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.85
CCND1 P24385 20/20 0.85
CCND2 P30279 9/20 0.85
CCND3 P30281 9/20 0.85
CCNA2 P20248 7/20 0.85
CDK2 P24941 7/20 0.85
CCNA1 P78396 3/20 0.85
FGFR1 P11362 7/20 0.83
FGFR2 P21802 7/20 0.83
FGFR4 P22455 7/20 0.83
FGFR3 P22607 7/20 0.83

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
SCHEMBL4825463 1.00 CDK4 (0.85) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4832951 1.00 CDK4 (0.85) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL30176503 1.00 CDK4 (0.85) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL29507522 0.99 CDK4 (0.86) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4830653 0.99 CDK4 (0.86) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL5377679 0.97 CDK4 (0.86) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4835630 0.92 CDK4 (0.81) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4830510 0.92 CDK4 (0.81) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL29507488 0.92 CDK4 (0.81) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL6222070 0.92 CDK4 (1.00) CDK4CCND1CCND2CCND3CCNA2

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