SCHEMBL5312848

SCHEMBL5312848

CN(c1ccccc1)c1ccc2nc(Nc3cc(CN4CCN(C(=O)O)CC4)ccn3)sc2n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.51
LCK P06239 2/20 0.43
TBK1 Q9UHD2 10/20 0.42
CCNT1 O60563 1/20 0.41
FLT3 P36888 1/20 0.41
CDK9 P50750 1/20 0.41
IKBKE Q14164 1/20 0.41
RPS6KA6 Q9UK32 1/20 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
SCHEMBL5339092 0.94 KDR (0.56) KDRLCKTBK1CCNT1FLT3
SCHEMBL5312745 0.93 KDR (0.55) KDRLCKTBK1CCNT1FLT3
SCHEMBL5379271 0.92 KDR (0.48) KDRLCKTBK1
SCHEMBL5310327 0.87 KDR (0.53) KDRLCKTBK1CCNT1FLT3
SCHEMBL5311426 0.87 KDR (0.52) KDRLCKTBK1CCNT1FLT3
SCHEMBL5334772 0.87 KDR (0.55) KDRLCKTBK1CCNT1FLT3
SCHEMBL5331505 0.87 KDR (0.55) KDRLCKTBK1CCNT1FLT3
SCHEMBL5313606 0.86 KDR (0.53) KDRLCKTBK1CCNT1FLT3
SCHEMBL5313989 0.86 KDR (0.44) KDRLCKTBK1CCNT1FLT3
SCHEMBL5311520 0.85 KDR (0.53) 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 1 patent. 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