SCHEMBL6089142

SCHEMBL6089142

COc1ccc2cnc(Nc3ccc(N4CCN(C(=O)C(C)N)CC4)cc3)nc2c1C1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.80
CCND1 P24385 20/20 0.80
CCNE1 P24864 15/20 0.80
CDK2 P24941 15/20 0.80
CDK1 P06493 12/20 0.78
CCNB1 P14635 12/20 0.78

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
SCHEMBL6086964 0.91 CDK4 (0.75) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088709 0.89 CDK4 (0.68) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088241 0.89 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086900 0.88 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087890 0.87 CDK4 (0.86) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086816 0.87 CDK4 (0.95) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087339 0.86 CDK4 (0.82) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087411 0.85 CDK4 (0.80) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088024 0.85 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7464696 0.84 CDK4 (0.74) 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