SCHEMBL28909366

SCHEMBL28909366

C[C@H](Nc1ncc2ccc(=O)n(Cc3ccccc3)c2n1)c1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.58
CCND1 P24385 11/20 0.58
CCND2 P30279 11/20 0.58
CCND3 P30281 11/20 0.58
CCNB2 O95067 3/20 0.46
CCNE2 O96020 3/20 0.46
CDK1 P06493 3/20 0.46
FGFR1 P11362 3/20 0.46
CCNB1 P14635 3/20 0.46
CCNA2 P20248 3/20 0.46
FGFR2 P21802 3/20 0.46
FGFR4 P22455 3/20 0.46
FGFR3 P22607 3/20 0.46
CCNE1 P24864 3/20 0.46
CDK2 P24941 3/20 0.46
CCNA1 P78396 3/20 0.46
CCNB3 Q8WWL7 3/20 0.46
SRC P12931 1/20 0.46
JAK3 P52333 4/20 0.45
MAPK8 P45983 1/20 0.44

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
SCHEMBL28909368 1.00 CDK4 (0.58) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23141897 0.92 CDK4 (0.55) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23141899 0.92 CDK4 (0.55) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL29831367 0.89 CDK4 (0.61) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23141769 0.89 CDK4 (0.61) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23141766 0.89 CDK4 (0.61) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL30718272 0.88 CDK4 (0.48) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23141683 0.88 CDK4 (0.48) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23141685 0.88 CDK4 (0.48) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL28537531 0.88 CDK4 (0.69) CDK4CCND1CCND2CCND3CCNB2

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
CN-112469719-A Heterocondensed pyridone compounds and their use as IDH inhibitors 内尔维亚诺医疗科学公司 2021-03-09 CN claimed
CN-112469719-A Heterocondensed pyridone compounds and their use as IDH inhibitors 内尔维亚诺医疗科学公司 2021-03-09 CN disclosed