SCHEMBL6943376

SCHEMBL6943376

CSc1ncc2c(C)c(F)c(=O)n(C3CCCC3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.52
CCND1 P24385 16/20 0.52
CCND3 P30281 13/20 0.52
CCND2 P30279 10/20 0.52
CDK2 P24941 5/20 0.41
CDK6 Q00534 5/20 0.41
CCNE1 P24864 4/20 0.41
CDK1 P06493 3/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
PIK3CA P42336 2/20 0.40
CCNA2 P20248 4/20 0.39
CCNE2 O96020 3/20 0.39
CCNA1 P78396 3/20 0.39
CCNB2 O95067 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39

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
SCHEMBL4826130 0.86 CDK4 (0.52) CDK4CCND1CCND3CCND2CDK2
SCHEMBL29507845 0.86 CDK4 (0.52) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4825233 0.86 CDK4 (0.52) CDK4CCND1CCND3CCND2CDK2
SCHEMBL28468011 0.84 CDK4 (0.40) CDK4CCND1CCND3CCND2CDK2
SCHEMBL28467128 0.84 CDK4 (0.54) CDK4CCND1CCND3CCND2CDK2
SCHEMBL1227553 0.83 PIK3CA (0.44) CDK4CCND1CCND3CCND2CDK2
SCHEMBL19021358 0.83 CDK4 (0.60) CDK4CCND1CCND3CCND2CDK2
SCHEMBL28463086 0.80 CDK4 (0.40) CDK4CCND1CCND3CCND2CDK2
SCHEMBL28470530 0.80 CDK4 (0.38) CDK4CCND1CCND3CCND2CDK2
SCHEMBL28463249 0.79 CDK4 (0.45) 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-1268476-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-01-02 EP disclosed
WO-2001070741-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-27 WO disclosed