SCHEMBL6087256

SCHEMBL6087256

CNc1ccc2cnc(Nc3ccc(N4CCNC(C)(C)C4)cc3)nc2c1C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.58
CCND1 P24385 18/20 0.58
CDK2 P24941 13/20 0.58
CCNE1 P24864 12/20 0.58
CDK1 P06493 10/20 0.58
CCNB1 P14635 10/20 0.58
CCND2 P30279 2/20 0.53
CCND3 P30281 2/20 0.53
CCNA2 P20248 2/20 0.52
CDK6 Q00534 1/20 0.43
CCNE2 O96020 1/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
CCNA1 P78396 1/20 0.43

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
SCHEMBL6087685 0.89 CDK4 (0.60) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087085 0.89 CDK4 (0.75) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086615 0.88 CDK4 (0.62) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086676 0.87 CDK4 (0.75) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6090404 0.87 CDK4 (0.57) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087463 0.87 CDK4 (0.77) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087494 0.86 CDK4 (0.72) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6088670 0.82 CDK4 (0.63) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087163 0.80 CDK4 (0.63) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087762 0.80 CDK4 (0.79) CDK4CCND1CDK2CCNE1CDK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982260-B1 Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes WARNER-LAMBERT COMPANY (US) 2006-01-03 US disclosed