SCHEMBL6090448

SCHEMBL6090448

COC1=CCc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2C1C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.54
CCND1 P24385 14/20 0.54
CDK2 P24941 8/20 0.54
CCNE1 P24864 5/20 0.54
CDK1 P06493 4/20 0.54
CCNB1 P14635 4/20 0.54
CCND2 P30279 7/20 0.47
CCND3 P30281 7/20 0.47
FGFR1 P11362 5/20 0.47
FGFR2 P21802 5/20 0.47
FGFR4 P22455 5/20 0.47
FGFR3 P22607 5/20 0.47
CCNA2 P20248 5/20 0.47
CDK6 Q00534 5/20 0.47
CCNA1 P78396 3/20 0.47
CCNE2 O96020 2/20 0.47
NUAK1 O60285 1/20 0.46
BRD4 O60885 1/20 0.45
CCNB2 O95067 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45

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
SCHEMBL6087039 0.93 CDK4 (0.52) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086861 0.86 CDK4 (0.41) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087037 0.86 CDK4 (0.55) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087275 0.86 CDK4 (0.57) CDK4CCND1CDK2CCNE1CCND2
SCHEMBL6086786 0.86 CDK4 (0.56) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7470944 0.85 CDK4 (0.42) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6088226 0.84 SYK (0.52) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6089773 0.84 CDK4 (0.53) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087644 0.83 CDK4 (0.59) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL7465044 0.83 CDK4 (0.45) 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