SCHEMBL30176548

SCHEMBL30176548

CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCCCCC4)cn3)nc2n(C2CCCC2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 1.00
CCND1 P24385 14/20 1.00
CCND3 P30281 13/20 1.00
CCND2 P30279 12/20 1.00
CDK6 Q00534 7/20 0.86
CDK2 P24941 3/20 0.86
CCNA2 P20248 2/20 0.86
CDK9 P50750 2/20 0.86
CHEK1 O14757 1/20 0.86
DAPK3 O43293 1/20 0.86
CCNT1 O60563 1/20 0.86
CCNT2 O60583 1/20 0.86
ROCK2 O75116 1/20 0.86
STK16 O75716 1/20 0.86
CCNK O75909 1/20 0.86
PDE5A O76074 1/20 0.86
PRKD3 O94806 1/20 0.86
CCNB2 O95067 1/20 0.86
ABCB11 O95342 1/20 0.86
MAP4K4 O95819 1/20 0.86

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
SCHEMBL4833113 1.00 CDK4 (1.00) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4832769 1.00 CDK4 (1.00) CDK4CCND1CCND3CCND2CDK6
SCHEMBL30176555 1.00 CDK4 (1.00) CDK4CCND1CCND3CCND2CDK6
SCHEMBL29507588 0.99 CDK4 (0.98) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4832978 0.99 CDK4 (0.98) CDK4CCND1CCND3CCND2CDK6
SCHEMBL29507430 0.97 CDK4 (0.95) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4825286 0.97 CDK4 (0.95) CDK4CCND1CCND3CCND2CDK6
SCHEMBL17484245 0.94 CDK4 (0.89) CDK4CCND1CCND3CCND2CDK6
SCHEMBL26263308 0.94 CDK4 (0.89) CDK4CCND1CCND3CCND2CDK6
SCHEMBL17484240 0.94 CDK4 (0.88) CDK4CCND1CCND3CCND2CDK6

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