SCHEMBL5335047

SCHEMBL5335047

Cc1ccc(N(C)c2ccc3nc(Nc4cc(CN5CCS(=O)(=O)CC5)ccn4)sc3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.40
LCK P06239 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TBK1 Q9UHD2 5/20 0.35
CCNT1 O60563 1/20 0.34
FLT3 P36888 1/20 0.34
CDK9 P50750 1/20 0.34
IKBKE Q14164 1/20 0.34
RPS6KA6 Q9UK32 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
SCHEMBL14530647 0.91 KDR (0.41) KDRLCKTBK1
SCHEMBL14530649 0.91 KDR (0.46) KDRLCKTBK1CCNT1FLT3
SCHEMBL5310872 0.89 KDR (0.40) KDRLCKTBK1CCNT1FLT3
SCHEMBL5310867 0.88 LCK (0.41) KDRLCKTBK1CCNT1FLT3
SCHEMBL14530996 0.88 KDR (0.39) KDRLCKTBK1IKBKE
SCHEMBL5313989 0.87 KDR (0.44) KDRLCKTBK1CCNT1FLT3
SCHEMBL5310327 0.87 KDR (0.53) KDRLCKTBK1CCNT1FLT3
SCHEMBL5311889 0.87 TBK1 (0.44) KDRLCKTBK1CCNT1FLT3
SCHEMBL5313128 0.87 KDR (0.45) KDRLCKTBK1CCNT1FLT3
SCHEMBL5315868 0.86 LCK (0.42) KDRLCKTBK1

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