SCHEMBL6086579

SCHEMBL6086579

Cc1cc(N(C)C)c(C2CCCC2)c2nc(Nc3ccc(N4CCNC(C)(C)C4)cc3)ncc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.62
CCND1 P24385 16/20 0.62
CCND2 P30279 6/20 0.61
CCND3 P30281 6/20 0.61
CDK2 P24941 5/20 0.54
CCNA2 P20248 1/20 0.54
CDK1 P06493 4/20 0.47
CCNB1 P14635 4/20 0.47
CCNE1 P24864 4/20 0.47
NUAK1 O60285 1/20 0.46
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
CDK6 Q00534 1/20 0.45

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
SCHEMBL6087163 0.89 CDK4 (0.63) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6087762 0.89 CDK4 (0.79) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6088982 0.88 CDK4 (0.78) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6086615 0.88 CDK4 (0.62) CDK4CCND1CCND2CCND3CDK2
SCHEMBL7465457 0.88 CDK4 (0.74) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6090404 0.88 CDK4 (0.57) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6087775 0.87 CDK4 (0.79) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6087241 0.84 CDK4 (0.63) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6088101 0.81 CDK4 (0.77) CDK4CCND1CCND2CCND3CDK2
SCHEMBL6087685 0.80 CDK4 (0.60) CDK4CCND1CCND2CCND3CDK2

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