SCHEMBL30176534

SCHEMBL30176534

CC(CO)N1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.87
CDK1 P06493 4/20 0.81
CDK2 P24941 3/20 0.76
CCND3 P30281 3/20 0.76
GAK O14976 1/20 0.76
CCNT1 O60563 1/20 0.76
CCNA2 P20248 1/20 0.76
FECH P22830 1/20 0.76
CCND1 P24385 1/20 0.76
CDK9 P50750 1/20 0.76
CDK6 Q00534 1/20 0.76
CDK16 Q00536 1/20 0.76
MAP3K1 Q13233 1/20 0.76
CAMK2G Q13555 1/20 0.76
CAMK2D Q13557 1/20 0.76
Q6ZSR9 Q6ZSR9 1/20 0.76
PRKD2 Q9BZL6 1/20 0.76
SIK2 Q9H0K1 1/20 0.76
HDAC1 Q13547 1/20 0.69

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
SCHEMBL302613 1.00 CDK4 (0.87) CDK4CDK1CDK2CCND3GAK
SCHEMBL31060834 0.93 CDK4 (1.00) CDK4CDK1CDK2CCND3GAK
SCHEMBL305292 0.93 CDK4 (1.00) CDK4CDK1CDK2CCND3GAK
SCHEMBL29507456 0.91 CDK4 (0.72) CDK4CDK1CDK2CCND3GAK
SCHEMBL29507478 0.91 CDK4 (0.90) CDK4CDK1CDK2CCND3GAK
SCHEMBL303559 0.91 CDK4 (0.90) CDK4CDK1CDK2CCND3GAK
SCHEMBL20228936 0.90 CDK4 (0.85) CDK4CDK1CDK2CCND3GAK
SCHEMBL1993253 0.89 CDK4 (0.84) CDK4CDK1CDK2CCND3GAK
SCHEMBL302313 0.89 CDK1 (1.00) CDK4CDK1CDK2CCND3GAK
SCHEMBL302076 0.89 CDK1 (1.00) CDK4CDK1CDK2CCND3GAK

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