SCHEMBL6087652

SCHEMBL6087652

Cc1cc(N)c(C2CCCC2)c2nc(Nc3ccc(N4CCC(CCCN5CCNCC5)CC4)cc3)ncc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.64
CCND1 P24385 18/20 0.64
CDK2 P24941 5/20 0.50
CDK1 P06493 3/20 0.50
CCNB1 P14635 3/20 0.50
CCNE1 P24864 3/20 0.50
CCND3 P30281 10/20 0.49
CCND2 P30279 9/20 0.49
FGFR1 P11362 3/20 0.48
FGFR2 P21802 3/20 0.48
FGFR4 P22455 3/20 0.48
FGFR3 P22607 3/20 0.48
NUAK1 O60285 1/20 0.48
CCNA2 P20248 3/20 0.43
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
CCNA1 P78396 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
STK17A Q9UEE5 1/20 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
SCHEMBL6088194 0.91 CDK4 (0.78) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087490 0.91 CDK4 (0.63) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087792 0.90 CDK4 (0.79) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6088234 0.90 CDK4 (0.62) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087502 0.88 CDK4 (0.80) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087026 0.88 CDK4 (0.61) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087147 0.86 CDK4 (0.77) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087327 0.83 CDK4 (0.54) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087452 0.82 CDK4 (0.65) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6086742 0.82 CDK4 (0.59) 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