SCHEMBL6087463

SCHEMBL6087463

COc1ccc2cnc(Nc3ccc(N4CCNC(C)(C)C4)cc3)nc2c1C1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.77
CCND1 P24385 20/20 0.77
CDK2 P24941 13/20 0.77
CCNE1 P24864 12/20 0.77
CDK1 P06493 10/20 0.77
CCNB1 P14635 10/20 0.77
CCND2 P30279 1/20 0.53
CCND3 P30281 1/20 0.53
CCNA2 P20248 1/20 0.51

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 0.88 CDK4 (0.75) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087775 0.88 CDK4 (0.79) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087333 0.87 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087256 0.87 CDK4 (0.58) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086681 0.87 CDK4 (0.94) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6090404 0.86 CDK4 (0.57) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6088024 0.85 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087514 0.85 CDK4 (0.75) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087349 0.84 CDK4 (1.00) 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 6 patents. 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 claimed
EP-1235815-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2002-09-04 EP claimed
WO-2001038315-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2001-05-31 WO claimed
US-6982260-B1 Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes WARNER-LAMBERT COMPANY (US) 2006-01-03 US disclosed
EP-1235815-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
WO-2001038315-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2001-05-31 WO disclosed