SCHEMBL6087101

SCHEMBL6087101

CC(C)C(N)C(=O)N1CCN(c2ccc(Nc3ncc4c(n3)C(C3CCCC3)C(O)=CC4)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.44
EGFR P00533 1/20 0.43
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
ALK Q9UM73 1/20 0.41

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
SCHEMBL6087785 0.90 SYK (0.43) SYKEGFRCDK4CCND1CCNE1
SCHEMBL6086800 0.90 CDK4 (0.45) SYKEGFRCDK4CCND1CCNE1
SCHEMBL6086961 0.88 SYK (0.55) SYKCDK4CCND1CCNE1CDK2
SCHEMBL6087827 0.87 SYK (0.44) SYKCDK4CCND1CCNE1CDK2
SCHEMBL6089130 0.85 CDK1 (0.54) SYKCDK4CCND1CCNE1CDK2
SCHEMBL6087383 0.85 SYK (0.54) SYKEGFRCDK4CCND1CCNE1
SCHEMBL6087449 0.84 CDK4 (0.46) SYKEGFRCDK4CCND1CCNE1
SCHEMBL7467284 0.83 EGFR (0.39) SYKEGFRCDK4CCND1CCNE1
SCHEMBL7463354 0.83 ERBB3 (0.41) SYKEGFRCDK4CCND1CCNE1
SCHEMBL6087037 0.81 CDK4 (0.55) SYKCDK4CCND1CCNE1CDK2

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 3 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 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