SCHEMBL6089626

SCHEMBL6089626

CC(C)c1c(O)ccc2cnc(Nc3ccc(N4CCN(C(=O)CN)CC4)cc3)nc12

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.79
CCND1 P24385 12/20 0.79
CDK2 P24941 12/20 0.79
CCNE1 P24864 11/20 0.79
CDK1 P06493 8/20 0.79
CCNB1 P14635 8/20 0.79
WEE1 P30291 1/20 0.47
SYK P43405 5/20 0.47
ALK Q9UM73 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL6086517 0.92 CDK4 (0.67) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087863 0.89 CDK4 (0.78) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087690 0.89 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087479 0.88 CDK4 (0.64) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087527 0.86 CDK4 (0.60) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086358 0.86 CDK4 (0.60) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6088904 0.83 CDK4 (0.79) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7474503 0.83 CDK4 (0.57) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086502 0.82 CDK4 (0.67) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7473263 0.82 CDK4 (0.56) 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