SCHEMBL6087005

SCHEMBL6087005

COc1ccc2cnc(Nc3ccc(N4CCC(CCCN5CCNCC5)CC4)c(Cl)c3)nc2c1C(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.64
CCND1 P24385 15/20 0.64
CCNE1 P24864 11/20 0.64
CDK2 P24941 11/20 0.64
CDK1 P06493 9/20 0.64
CCNB1 P14635 9/20 0.64
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
BRD4 O60885 2/20 0.40
WEE1 P30291 1/20 0.39
ALK Q9UM73 1/20 0.39
BCL6 P41182 1/20 0.38

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
SCHEMBL6087523 0.90 CDK4 (0.49) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6089102 0.89 CDK4 (0.74) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087047 0.89 CDK4 (0.61) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6089753 0.89 CDK4 (0.67) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087488 0.84 CDK4 (0.65) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086930 0.81 CDK4 (0.74) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088571 0.80 CDK4 (0.66) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087344 0.79 CDK4 (0.48) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087246 0.78 CDK4 (0.57) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086951 0.78 CDK4 (1.00) 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