SCHEMBL6087361

SCHEMBL6087361

COc1ccc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc2c1C(C)C

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.79
CCND1 P24385 14/20 0.79
CDK2 P24941 11/20 0.79
CCNE1 P24864 10/20 0.79
CDK1 P06493 7/20 0.75
CCNB1 P14635 7/20 0.75
CCND3 P30281 2/20 0.54
CCNK O75909 1/20 0.54
CCNA2 P20248 1/20 0.54
CDK9 P50750 1/20 0.54
CDK6 Q00534 1/20 0.54
ALK Q9UM73 4/20 0.51
CCND2 P30279 1/20 0.50
SYK P43405 1/20 0.49

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
SCHEMBL6086842 0.89 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086425 0.86 CDK4 (0.85) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087339 0.86 CDK4 (0.82) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087690 0.85 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087411 0.85 CDK4 (0.80) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087270 0.84 CDK4 (0.85) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087587 0.84 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087908 0.83 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087422 0.83 CDK4 (0.77) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087027 0.82 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