SCHEMBL30176510

SCHEMBL30176510

Nc1cc2cnc(Nc3ccc(N4CCCCCC4)cn3)nc2n(C2CCCC2)c1=O

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 11/20 0.85
CCND3 P30281 11/20 0.85
FGFR1 P11362 8/20 0.83
FGFR2 P21802 8/20 0.83
FGFR4 P22455 8/20 0.83
FGFR3 P22607 8/20 0.83
CCNA2 P20248 8/20 0.68
CDK2 P24941 8/20 0.68
CCNA1 P78396 5/20 0.68

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
SCHEMBL4830549 1.00 CDK4 (0.85) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4833119 0.99 CDK4 (0.86) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL29507603 0.97 CDK4 (0.86) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4825294 0.97 CDK4 (0.86) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6221400 0.92 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4877276 0.92 CDK4 (0.81) CDK4CCND1CCND2CCND3FGFR1
Hydrochloric Acid SCHEMBL29507451 0.91 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
Hydrochloric Acid SCHEMBL4450153 0.91 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL29507431 0.90 CDK4 (0.78) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4833020 0.90 CDK4 (0.78) 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