SCHEMBL5263602

SCHEMBL5263602

CN(C)CCCN1CCN(c2ccc(Nc3ncc4ccc(=O)n(-c5ccccc5)c4n3)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.74
CCND1 P24385 12/20 0.74
CCND2 P30279 12/20 0.74
CCND3 P30281 12/20 0.74
JAK3 P52333 8/20 0.53
CCNE2 O96020 3/20 0.52
CCNA2 P20248 3/20 0.52
CCNE1 P24864 3/20 0.52
CDK2 P24941 3/20 0.52
CCNA1 P78396 3/20 0.52
CCNB2 O95067 2/20 0.52
CDK1 P06493 2/20 0.52
FGFR1 P11362 2/20 0.52
CCNB1 P14635 2/20 0.52
FGFR2 P21802 2/20 0.52
FGFR4 P22455 2/20 0.52
FGFR3 P22607 2/20 0.52
CCNB3 Q8WWL7 2/20 0.52
PAK4 O96013 1/20 0.52
PAK1 Q13153 1/20 0.52

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
SCHEMBL1890597 0.85 CDK4 (1.00) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL5263598 0.84 CDK4 (0.75) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL5268237 0.82 CDK4 (0.82) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL5263279 0.81 CDK4 (0.81) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL5263430 0.80 CDK4 (0.78) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL5264568 0.80 CDK4 (0.78) CDK4CCND1CCND2CCND3JAK3
SCHEMBL5265194 0.79 CDK4 (0.77) CDK4CCND1CCND2CCND3JAK3
SCHEMBL5263290 0.79 CDK4 (0.67) CDK4CCND1CCND2CCND3JAK3
SCHEMBL5267883 0.78 CDK4 (0.75) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL5263388 0.77 CDK4 (0.78) CDK4CCND1CCND2CCND3CCNE2

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 6 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
EP-1806348-A2 Pyrido (2,3-D)Pyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-07-11 EP disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 US disclosed