SCHEMBL5267124

SCHEMBL5267124

CCn1c(=O)ccc2cnc(Nc3ccc4cc[nH]c4c3)nc21

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.66
CCND1 P24385 20/20 0.66
CCND2 P30279 20/20 0.66
CCND3 P30281 20/20 0.66
CCNB2 O95067 2/20 0.65
CCNE2 O96020 2/20 0.65
CDK1 P06493 2/20 0.65
FGFR1 P11362 2/20 0.65
CCNB1 P14635 2/20 0.65
CCNA2 P20248 2/20 0.65
FGFR2 P21802 2/20 0.65
FGFR4 P22455 2/20 0.65
FGFR3 P22607 2/20 0.65
CCNE1 P24864 2/20 0.65
CDK2 P24941 2/20 0.65
CCNA1 P78396 2/20 0.65
CCNB3 Q8WWL7 2/20 0.65
SRC P12931 1/20 0.65

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
SCHEMBL6803962 0.93 CDK4 (0.64) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL5265060 0.85 CDK4 (0.66) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6812408 0.84 CDK4 (0.65) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6804752 0.83 CDK4 (0.66) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6809048 0.82 CDK4 (0.64) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6808284 0.81 CDK4 (0.77) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6813034 0.81 CDK4 (0.60) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6812698 0.80 CDK4 (0.62) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6807895 0.80 CDK4 (0.51) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL5263074 0.79 CDK4 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806348-A2 Pyrido (2,3-D)Pyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-07-11 EP claimed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 US claimed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 EP claimed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 WO claimed