SCHEMBL6087908

SCHEMBL6087908

COc1ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2c1C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 1.00
CCND1 P24385 18/20 1.00
CCNE1 P24864 14/20 1.00
CDK2 P24941 14/20 1.00
CDK1 P06493 11/20 0.83
CCNB1 P14635 11/20 0.83
CCND2 P30279 1/20 0.49
CCND3 P30281 1/20 0.49
BRD4 O60885 2/20 0.48

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
SCHEMBL6087587 0.99 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087027 0.91 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087270 0.91 CDK4 (0.85) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087955 0.90 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086842 0.86 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7474644 0.85 CDK4 (0.75) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086963 0.84 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7468854 0.84 CDK4 (0.73) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087339 0.84 CDK4 (0.82) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086425 0.84 CDK4 (0.85) 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