SCHEMBL6087246

SCHEMBL6087246

CC(C)c1c(O)ccc2cnc(Nc3ccc(N4CCC(CCCN5CCNCC5)CC4)cc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.57
CCND1 P24385 20/20 0.57
CDK2 P24941 17/20 0.57
CCNE1 P24864 15/20 0.57
CDK1 P06493 10/20 0.57
CCNB1 P14635 10/20 0.57
CCND2 P30279 4/20 0.49
CCND3 P30281 4/20 0.49
CCNE2 O96020 3/20 0.45
CCNA2 P20248 4/20 0.44
FGFR1 P11362 3/20 0.42
FGFR2 P21802 3/20 0.42
FGFR4 P22455 3/20 0.42
FGFR3 P22607 3/20 0.42
CCNA1 P78396 2/20 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
SCHEMBL6090027 0.91 CDK4 (0.56) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6089102 0.89 CDK4 (0.74) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087523 0.89 CDK4 (0.49) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087597 0.88 CDK4 (0.59) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086481 0.86 CDK4 (0.76) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6088499 0.85 CDK4 (0.75) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6089263 0.80 CDK4 (0.51) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086742 0.80 CDK4 (0.59) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086930 0.80 CDK4 (0.74) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087026 0.80 CDK4 (0.61) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982260-B1 Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes WARNER-LAMBERT COMPANY (US) 2006-01-03 US claimed
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