SCHEMBL6086902

SCHEMBL6086902

COC1=C(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc2CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.61
CCND1 P24385 16/20 0.61
CDK2 P24941 9/20 0.61
CCNE1 P24864 5/20 0.61
CDK1 P06493 4/20 0.61
CCNB1 P14635 4/20 0.61
CCND3 P30281 7/20 0.53
CCNA2 P20248 5/20 0.53
CDK6 Q00534 2/20 0.53
CCND2 P30279 4/20 0.49
CCNA1 P78396 2/20 0.49
FGFR1 P11362 4/20 0.49
FGFR2 P21802 4/20 0.49
FGFR4 P22455 4/20 0.49
FGFR3 P22607 4/20 0.49
CCNE2 O96020 1/20 0.49
NUAK1 O60285 1/20 0.48

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
SCHEMBL6086792 0.92 CDK4 (0.59) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086831 0.87 CDK4 (0.61) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087311 0.85 CDK4 (0.64) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086891 0.85 CDK4 (0.63) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6088874 0.84 CDK4 (0.46) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7463941 0.84 CDK4 (0.47) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087577 0.83 SYK (0.56) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087139 0.83 CDK4 (0.58) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7466645 0.83 CDK2 (0.46) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6088759 0.83 CDK2 (0.66) 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 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