SCHEMBL6087803

SCHEMBL6087803

CN1CC2CN(c3ccc(Nc4ncc5c(n4)C(C4CCCC4)C(O)=CC5)cc3)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.42
CDK1 P06493 3/20 0.42
SRC P12931 2/20 0.42
KDR P35968 2/20 0.42
AURKA O14965 1/20 0.42
INSR P06213 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
CDK7 P50613 1/20 0.42
NTRK2 Q16620 1/20 0.42
SYK P43405 3/20 0.42
EGFR P00533 2/20 0.41
CCND1 P24385 7/20 0.41
CCNE1 P24864 4/20 0.41
CDK2 P24941 4/20 0.41
CCND2 P30279 4/20 0.41
CCND3 P30281 4/20 0.41
CCNE2 O96020 3/20 0.41

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
SCHEMBL6087449 0.88 CDK4 (0.46) CDK4CDK1SRCKDRAURKA
SCHEMBL6086861 0.87 CDK4 (0.41) CDK4CDK1SRCKDRAURKA
SCHEMBL6087887 0.85 CDK4 (0.49) CDK4CDK1SRCKDRAURKA
SCHEMBL6087814 0.85 CDK4 (0.39) CDK4CDK1SRCKDRAURKA
SCHEMBL6087037 0.85 CDK4 (0.55) CDK4CDK1SYKCCND1CCNE1
SCHEMBL6087151 0.84 CDK4 (0.41) CDK4CDK1SRCKDRAURKA
SCHEMBL6086961 0.84 SYK (0.55) CDK4SYKCCND1CCNE1CDK2
SCHEMBL6087761 0.82 CDK5 (0.45) CDK4CDK1KDRAURKACDK7
SCHEMBL6087383 0.82 SYK (0.54) CDK4CDK1PDGFRBFLT4SYK
SCHEMBL7462456 0.81 SYK (0.43) CDK4CDK1SRCKDRAURKA

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