SCHEMBL7072243

SCHEMBL7072243

Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCC(CCCN5CCOCC5)CC4)c(F)c3)ncc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.57
CCND1 P24385 20/20 0.57
CCND3 P30281 18/20 0.57
CCND2 P30279 17/20 0.57
CCNA2 P20248 6/20 0.55
CDK2 P24941 6/20 0.55
CCNB2 O95067 4/20 0.55
CDK1 P06493 4/20 0.55
CCNB1 P14635 4/20 0.55
CCNB3 Q8WWL7 4/20 0.55
CCNE2 O96020 4/20 0.55
CCNE1 P24864 4/20 0.55
CCNA1 P78396 4/20 0.55
FGFR1 P11362 1/20 0.55
FGFR2 P21802 1/20 0.55
FGFR4 P22455 1/20 0.55
FGFR3 P22607 1/20 0.55
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
CDK6 Q00534 1/20 0.46

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
SCHEMBL6945970 0.90 CDK4 (0.67) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL7072346 0.89 CDK4 (0.65) CDK4CCND1CCND3CCND2CDK2
SCHEMBL7076820 0.85 CDK4 (0.64) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL6944806 0.84 CDK4 (0.68) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL7071654 0.84 CDK4 (0.67) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL5634089 0.84 CDK4 (0.52) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL6945279 0.82 CDK4 (0.77) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL7076171 0.82 CDK4 (0.79) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL6943264 0.82 CDK4 (0.66) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL6943792 0.82 CDK4 (0.68) 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-1268476-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-01-02 EP claimed
WO-2001070741-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-27 WO claimed