SCHEMBL30176554

SCHEMBL30176554

CC(=O)c1cc2cnc(Nc3ccc(N(C)C(C)=O)cn3)nc2n(C2CCCC2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.67
CCND1 P24385 13/20 0.67
CCND3 P30281 7/20 0.67
CCND2 P30279 6/20 0.67
CDK2 P24941 6/20 0.56
CCNA2 P20248 5/20 0.56
FGFR1 P11362 2/20 0.56
FGFR2 P21802 2/20 0.56
FGFR4 P22455 2/20 0.56
FGFR3 P22607 2/20 0.56
CCNA1 P78396 2/20 0.54
GAK O14976 1/20 0.51
CCNT1 O60563 1/20 0.51
FECH P22830 1/20 0.51
CDK9 P50750 1/20 0.51
CDK6 Q00534 1/20 0.51
CDK16 Q00536 1/20 0.51
MAP3K1 Q13233 1/20 0.51
CAMK2G Q13555 1/20 0.51
CAMK2D Q13557 1/20 0.51

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
SCHEMBL4835919 1.00 CDK4 (0.67) CDK4CCND1CCND3CCND2CDK2
SCHEMBL29507462 0.93 CDK4 (0.69) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4825491 0.93 CDK4 (0.69) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4833209 0.90 CDK4 (0.64) CDK4CCND1CCND3CCND2CDK2
SCHEMBL30176486 0.90 CDK4 (0.64) CDK4CCND1CCND3CCND2CDK2
SCHEMBL29507438 0.89 CDK4 (0.66) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4826567 0.89 CDK4 (0.66) CDK4CCND1CCND3CCND2CDK2
SCHEMBL24618818 0.88 CDK4 (0.63) CDK4CCND1CCND3CCND2CDK2
SCHEMBL29507377 0.87 CDK4 (0.64) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4833329 0.87 CDK4 (0.64) CDK4CCND1CCND3CCND2CDK2

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