SCHEMBL30176517

SCHEMBL30176517

O=c1c(Cc2ccccc2)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 10/20 0.69
CCND3 P30281 10/20 0.69
FGFR1 P11362 5/20 0.68
FGFR2 P21802 5/20 0.68
FGFR4 P22455 5/20 0.68
FGFR3 P22607 5/20 0.68
CCNA2 P20248 5/20 0.65
CDK2 P24941 5/20 0.65
CCNA1 P78396 3/20 0.65

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
SCHEMBL4835783 1.00 CDK4 (0.85) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4828607 0.99 CDK4 (0.86) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL29507382 0.99 CDK4 (0.86) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4830619 0.97 CDK4 (0.86) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL5900411 0.93 CDK4 (0.98) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4869191 0.93 CDK4 (0.81) CDK4CCND1CCND2CCND3FGFR1
Hydrochloric Acid SCHEMBL4444142 0.92 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
Hydrochloric Acid SCHEMBL29507426 0.92 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL15874462 0.91 CDK4 (0.79) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4825469 0.91 CDK4 (0.79) CDK4CCND1CCND2CCND3FGFR1

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