SCHEMBL5313601

SCHEMBL5313601

CN(c1ccc(F)c(F)c1)c1ccc2nc(Nc3cc(CN4CCN(CC=O)CC4)ccn3)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.40
LCK P06239 2/20 0.39
TBK1 Q9UHD2 6/20 0.35
CCNT1 O60563 1/20 0.35
FLT3 P36888 1/20 0.35
CDK9 P50750 1/20 0.35
IKBKE Q14164 1/20 0.35
RPS6KA6 Q9UK32 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL5310884 0.92 KDR (0.41) KDRLCKTBK1CCNT1FLT3
SCHEMBL5379687 0.91 LCK (0.43) KDRLCKTBK1CCNT1FLT3
SCHEMBL5310867 0.90 LCK (0.41) KDRLCKTBK1CCNT1FLT3
SCHEMBL14530673 0.89 KDR (0.51) KDRLCKTBK1CCNT1FLT3
SCHEMBL5314665 0.87 LCK (0.40) KDRLCKTBK1CCNT1FLT3
SCHEMBL5315530 0.87 KDR (0.39) KDRLCKTBK1CCNT1FLT3
SCHEMBL5313054 0.85 KDR (0.40) KDRLCKTBK1CCNT1FLT3
SCHEMBL5314466 0.82 LCK (0.35) KDRLCKTBK1
SCHEMBL5312989 0.82 KDR (0.47) KDRLCKTBK1CCNT1FLT3
SCHEMBL5314625 0.82 KDR (0.49) KDRLCKTBK1CCNT1FLT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO claimed
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed