SCHEMBL30176532

SCHEMBL30176532

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.76
CCND1 P24385 14/20 0.76
CCND3 P30281 13/20 0.76
CCND2 P30279 12/20 0.76
CCNA2 P20248 3/20 0.76
CDK2 P24941 3/20 0.76
CCNA1 P78396 2/20 0.76
CDK6 Q00534 6/20 0.69
CDK9 P50750 3/20 0.68
CCNT1 O60563 2/20 0.68
CHEK1 O14757 1/20 0.68
DAPK3 O43293 1/20 0.68
CCNT2 O60583 1/20 0.68
ROCK2 O75116 1/20 0.68
STK16 O75716 1/20 0.68
CCNK O75909 1/20 0.68
PDE5A O76074 1/20 0.68
PRKD3 O94806 1/20 0.68
CCNB2 O95067 1/20 0.68
ABCB11 O95342 1/20 0.68

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
SCHEMBL4830641 1.00 CDK4 (0.76) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL29507558 0.93 CDK4 (0.78) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4825399 0.93 CDK4 (0.78) CDK4CCND1CCND3CCND2CCNA2
Bicarbonate SCHEMBL6225247 0.91 CDK4 (0.75) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL30176492 0.90 CDK4 (0.70) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4827112 0.90 CDK4 (0.70) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4833792 0.89 CDK4 (0.82) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL29507555 0.89 CDK4 (0.82) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL24218581 0.89 CDK9 (0.82) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4828533 0.88 CDK4 (0.85) CDK4CCND1CCND3CCND2CCNA2

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