SCHEMBL30176575

SCHEMBL30176575

C[C@H]1CN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CCN1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 9/20 0.78
CDK2 P24941 5/20 0.78
CDK4 P11802 14/20 0.65
CDK6 Q00534 2/20 0.65
GAK O14976 1/20 0.65
CCNT1 O60563 1/20 0.65
CCNA2 P20248 1/20 0.65
FECH P22830 1/20 0.65
CCND1 P24385 1/20 0.65
CCND3 P30281 1/20 0.65
CDK9 P50750 1/20 0.65
CDK16 Q00536 1/20 0.65
MAP3K1 Q13233 1/20 0.65
CAMK2G Q13555 1/20 0.65
CAMK2D Q13557 1/20 0.65
Q6ZSR9 Q6ZSR9 1/20 0.65
PRKD2 Q9BZL6 1/20 0.65
SIK2 Q9H0K1 1/20 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
SCHEMBL30729678 1.00 CDK1 (0.78) CDK1CDK2CDK4CDK6GAK
SCHEMBL302279 1.00 CDK1 (0.78) CDK1CDK2CDK4CDK6GAK
SCHEMBL30729679 1.00 CDK1 (0.78) CDK1CDK2CDK4CDK6GAK
SCHEMBL1995145 1.00 CDK1 (0.78) CDK1CDK2CDK4CDK6GAK
SCHEMBL1991612 0.92 CDK1 (0.84) CDK1CDK2CDK4CDK6GAK
SCHEMBL29507554 0.92 CDK1 (0.65) CDK1CDK2CDK4CDK6GAK
SCHEMBL2002825 0.91 CDK1 (0.80) CDK1CDK2CDK4CDK6GAK
SCHEMBL1990541 0.88 CDK1 (1.00) CDK1CDK2CDK4CDK6GAK
SCHEMBL30729672 0.88 CDK1 (1.00) CDK1CDK2CDK4CDK6GAK
SCHEMBL30176563 0.87 CDK1 (0.84) 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