SCHEMBL6087490

SCHEMBL6087490

CNc1cc(C)c2cnc(Nc3ccc(N4CCC(CCCN5CCNCC5)CC4)cc3)nc2c1C1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.63
CCND1 P24385 18/20 0.63
CDK2 P24941 4/20 0.49
CDK1 P06493 3/20 0.49
CCNB1 P14635 3/20 0.49
CCNE1 P24864 3/20 0.49
CCND3 P30281 12/20 0.49
CCND2 P30279 10/20 0.49
FGFR1 P11362 2/20 0.48
FGFR2 P21802 2/20 0.48
FGFR4 P22455 2/20 0.48
FGFR3 P22607 2/20 0.48
NUAK1 O60285 1/20 0.48
CCNA2 P20248 2/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CCNA1 P78396 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL6088194 0.91 CDK4 (0.78) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087652 0.91 CDK4 (0.64) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6088234 0.89 CDK4 (0.62) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087792 0.89 CDK4 (0.79) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6086742 0.89 CDK4 (0.59) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087493 0.89 CDK4 (0.79) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6090784 0.86 CDK4 (0.75) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087433 0.84 CDK4 (0.53) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087149 0.83 CDK4 (0.64) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087026 0.81 CDK4 (0.61) CDK4CCND1CDK2CDK1CCNB1

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 5 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
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