SCHEMBL30294227

SCHEMBL30294227

[2H]c1ncc2c(C)c(Br)c(=O)n(C3CCCC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.47
CCND1 P24385 14/20 0.47
CCND2 P30279 10/20 0.47
CCND3 P30281 10/20 0.47
CDK2 P24941 6/20 0.47
CCNA2 P20248 5/20 0.47
CDK1 P06493 3/20 0.47
CCNE1 P24864 3/20 0.47
CCNB2 O95067 2/20 0.47
CCNE2 O96020 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNA1 P78396 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37

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
SCHEMBL31475428 0.87 CYP1A2 (0.50) CDK4CCND1CCND2CCND3CDK2
SCHEMBL28403699 0.80 CDK4 (0.56) CDK4CCND1CCND2CCND3CDK2
SCHEMBL29611418 0.78 CDK4 (0.54) CDK4CCND1CCND2CCND3CDK2
SCHEMBL28404489 0.78 CDK4 (0.55) CDK4CCND1CCND2CCND3CDK2
SCHEMBL16248282 0.78 CDK4 (0.54) CDK4CCND1CCND2CCND3CDK2
SCHEMBL13202803 0.78 CDK4 (0.54) CDK4CCND1CCND2CCND3CDK2
SCHEMBL4826130 0.76 CDK4 (0.52) CDK4CCND1CCND2CCND3CDK2
SCHEMBL29507845 0.76 CDK4 (0.52) CDK4CCND1CCND2CCND3CDK2
SCHEMBL22553519 0.75 CDK4 (0.52) CDK4CCND1CCND2CCND3CDK2
SCHEMBL13202797 0.75 CDK4 (0.52) CDK4CCND1CCND2CCND3CDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023035667-A1 LOW-COST PREPARATION METHOD FOR PALBOCICLIB 山东铂源药业股份有限公司 2023-03-16 WO disclosed