SCHEMBL5315530

SCHEMBL5315530

CN(c1ccc2nc(Nc3cc(CN4CCN(CC=O)CC4)ccn3)sc2n1)c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.39
LCK P06239 2/20 0.38
TBK1 Q9UHD2 7/20 0.35
CCNT1 O60563 2/20 0.35
FLT3 P36888 2/20 0.35
CDK9 P50750 2/20 0.35
IKBKE Q14164 2/20 0.35
RPS6KA6 Q9UK32 2/20 0.35
STK17A Q9UEE5 1/20 0.34

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
SCHEMBL5314665 0.93 LCK (0.40) KDRLCKTBK1CCNT1FLT3
SCHEMBL14531379 0.91 KDR (0.39) KDRLCKTBK1CCNT1FLT3
SCHEMBL5310884 0.90 KDR (0.41) KDRLCKTBK1CCNT1FLT3
SCHEMBL5314116 0.90 DYRK2 (0.39)
SCHEMBL5335400 0.89 KDR (0.53) KDRLCKTBK1CCNT1FLT3
SCHEMBL14530632 0.89 KDR (0.46) KDRLCKTBK1CDK9
SCHEMBL5313601 0.87 KDR (0.40) KDRLCKTBK1CCNT1FLT3
SCHEMBL5339002 0.86 KDR (0.43) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5310867 0.85 LCK (0.41) KDRLCKTBK1CCNT1FLT3
SCHEMBL5379687 0.84 LCK (0.43) 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