SCHEMBL6088960

SCHEMBL6088960

COc1cc(C)c2cnc(Nc3ccc(N4CCCN(C(C)=O)CC4)cc3)nc2c1C1CCCC1

nearest known ligand 0.95

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.95
CCND1 P24385 13/20 0.95
CCNE1 P24864 6/20 0.74
CDK2 P24941 6/20 0.74
CDK1 P06493 4/20 0.61
CCNB1 P14635 4/20 0.61
CCND2 P30279 2/20 0.58
CCND3 P30281 2/20 0.58
ALK Q9UM73 4/20 0.55
SYK P43405 3/20 0.53

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
SCHEMBL6090001 0.98 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087477 0.90 CDK4 (0.77) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086816 0.88 CDK4 (0.95) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087001 0.87 CDK4 (0.80) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087520 0.86 CDK4 (0.79) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087954 0.85 CDK4 (0.78) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088241 0.85 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088101 0.85 CDK4 (0.77) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088553 0.84 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6089779 0.84 CDK4 (0.95) CDK4CCND1CCNE1CDK2CDK1

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