SCHEMBL6089268

SCHEMBL6089268

O=C(C1CCCN1)N1CCN(c2ccc(Nc3ncc4ccc(O)c(C5CCCC5)c4n3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.71
CCND1 P24385 15/20 0.71
CCNE1 P24864 10/20 0.71
CDK2 P24941 10/20 0.71
CDK1 P06493 7/20 0.71
CCNB1 P14635 7/20 0.71
JAK2 O60674 2/20 0.47
PDGFRB P09619 2/20 0.47
FLT3 P36888 2/20 0.47
IKBKB O14920 1/20 0.47
KIT P10721 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
RPS6KB1 P23443 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
JAK3 P52333 1/20 0.47
MAP3K9 P80192 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
SCHEMBL6086227 0.89 CDK4 (0.78) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087741 0.87 CDK4 (0.57) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088445 0.86 CDK4 (0.79) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087686 0.84 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088904 0.83 CDK4 (0.79) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088038 0.83 CDK4 (0.70) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087426 0.83 CDK4 (0.75) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088709 0.82 CDK4 (0.68) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7465989 0.81 CDK4 (0.69) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086872 0.81 CDK4 (0.94) 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