SCHEMBL7473263

SCHEMBL7473263

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 16/20 0.56
CCND1 P24385 16/20 0.56
CDK2 P24941 13/20 0.56
CCNE1 P24864 12/20 0.56
CDK1 P06493 9/20 0.56
CCNB1 P14635 9/20 0.56
CCND2 P30279 3/20 0.44
CCND3 P30281 3/20 0.44
CCNA2 P20248 2/20 0.44
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
CCNA1 P78396 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
JAK3 P52333 3/20 0.42
SYK P43405 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
SCHEMBL7468854 0.88 CDK4 (0.73) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7461941 0.87 CDK4 (0.55) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087479 0.84 CDK4 (0.64) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7474503 0.84 CDK4 (0.57) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7469611 0.84 CDK4 (0.69) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7464606 0.84 CDK4 (0.52) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087863 0.83 CDK4 (0.78) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7463652 0.83 CDK4 (0.55) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086502 0.82 CDK4 (0.67) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6089626 0.82 CDK4 (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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