SCHEMBL6087422

SCHEMBL6087422

COc1ccc2cnc(Nc3ccc(N4CCN(C(=O)C(N)CC(C)C)CC4)cc3)nc2c1C(C)C

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.77
CCND1 P24385 18/20 0.77
CDK2 P24941 14/20 0.77
CCNE1 P24864 13/20 0.77
CDK1 P06493 11/20 0.77
CCNB1 P14635 10/20 0.77
ALK Q9UM73 2/20 0.44

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
SCHEMBL6087339 0.91 CDK4 (0.82) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087527 0.89 CDK4 (0.60) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086964 0.88 CDK4 (0.75) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087690 0.87 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086842 0.86 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086425 0.86 CDK4 (0.85) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087587 0.83 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087361 0.83 CDK4 (0.79) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087908 0.82 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087270 0.82 CDK4 (0.85) 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