SCHEMBL30176563

SCHEMBL30176563

CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CC5CCC(C4)N5)cn3)nc2n1C1CCCC1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.84
CDK2 P24941 1/20 0.84
CDK4 P11802 17/20 0.76

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
SCHEMBL302333 1.00 CDK1 (0.84) CDK1CDK2CDK4
SCHEMBL1991612 0.92 CDK1 (0.84) CDK1CDK2CDK4
SCHEMBL30729672 0.91 CDK1 (1.00) CDK1CDK2CDK4
SCHEMBL1990541 0.91 CDK1 (1.00) CDK1CDK2CDK4
SCHEMBL29507468 0.90 CDK1 (0.68) CDK1CDK2CDK4
SCHEMBL22370082 0.90 CDK1 (0.75) CDK1CDK2CDK4
SCHEMBL2002825 0.88 CDK1 (0.80) CDK1CDK2CDK4
SCHEMBL1990001 0.87 CDK1 (0.81) CDK1CDK2CDK4
SCHEMBL30729670 0.87 CDK1 (0.86) CDK1CDK2CDK4
SCHEMBL1991137 0.87 CDK1 (0.86) CDK1CDK2CDK4

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