SCHEMBL7475425

SCHEMBL7475425

CC(CC(N)C=O)CN1CCN(c2ccc(Nc3ncc4ccc(O)c(C5CCCC5)c4n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.61
CCND1 P24385 20/20 0.61
CCNE1 P24864 13/20 0.61
CDK2 P24941 13/20 0.61
CDK1 P06493 9/20 0.61
CCNB1 P14635 9/20 0.61
CCND2 P30279 3/20 0.41
CCND3 P30281 3/20 0.41
CCNE2 O96020 2/20 0.41
CCNA2 P20248 2/20 0.41
CCNA1 P78396 2/20 0.41
CCNB2 O95067 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
PAK4 O96013 1/20 0.40
PAK1 Q13153 1/20 0.40
PKN1 Q16512 1/20 0.40

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
SCHEMBL7459392 0.92 CDK4 (0.66) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7471048 0.90 CDK4 (0.68) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7464606 0.88 CDK4 (0.52) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7469611 0.83 CDK4 (0.69) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7460253 0.83 CDK4 (0.72) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7468596 0.82 CDK4 (0.68) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7475748 0.82 CDK4 (0.71) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7476450 0.81 CDK4 (0.69) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL7461941 0.81 CDK4 (0.55) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088709 0.81 CDK4 (0.68) 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
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