SCHEMBL6088904

SCHEMBL6088904

NCC(=O)N1CCN(c2ccc(Nc3ncc4ccc(O)c(C5CCCC5)c4n3)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.79
CCND1 P24385 14/20 0.79
CCNE1 P24864 10/20 0.79
CDK2 P24941 10/20 0.79
CDK1 P06493 8/20 0.79
CCNB1 P14635 8/20 0.79
WEE1 P30291 1/20 0.49
SYK P43405 5/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47

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
SCHEMBL6088038 0.91 CDK4 (0.70) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088445 0.88 CDK4 (0.79) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086900 0.88 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088709 0.86 CDK4 (0.68) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087426 0.86 CDK4 (0.75) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087370 0.85 CDK4 (0.62) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088589 0.84 CDK4 (0.63) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6089268 0.83 CDK4 (0.71) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6089626 0.83 CDK4 (0.79) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7460253 0.83 CDK4 (0.72) 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 4 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