SCHEMBL7465334

SCHEMBL7465334

Nc1ccc2cnc(Nc3ccc(N4CCN(CC=O)CC4)cc3)nc2c1C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.56
CCND1 P24385 18/20 0.56
CDK2 P24941 13/20 0.56
CCNE1 P24864 12/20 0.56
CDK1 P06493 10/20 0.56
CCNB1 P14635 10/20 0.56
CCNA2 P20248 5/20 0.44
CCNE2 O96020 4/20 0.44
CCND2 P30279 4/20 0.44
CCND3 P30281 4/20 0.44
CCNA1 P78396 4/20 0.44
PAK4 O96013 1/20 0.44
PAK1 Q13153 1/20 0.44
PKN1 Q16512 1/20 0.44
CCNB2 O95067 3/20 0.44
CCNB3 Q8WWL7 3/20 0.44
FGFR4 P22455 3/20 0.43
FGFR1 P11362 2/20 0.43
FGFR2 P21802 2/20 0.43
FGFR3 P22607 2/20 0.43

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
SCHEMBL7460253 0.89 CDK4 (0.72) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7469940 0.88 CDK4 (0.58) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7468596 0.87 CDK4 (0.68) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7465657 0.87 CDK4 (0.56) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7461957 0.87 CDK4 (0.77) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7469172 0.86 CDK4 (0.59) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087215 0.85 CDK4 (0.64) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7464000 0.85 CDK4 (0.76) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087124 0.83 CDK4 (0.78) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086856 0.83 CDK4 (0.77) 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