SCHEMBL5314682

SCHEMBL5314682

CONC(=O)c1cccc(N(C)c2ccc3nc(Nc4cc(CCl)ccn4)sc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.43
KDR P35968 4/20 0.41
BRAF P15056 3/20 0.40
IRAK4 Q9NWZ3 1/20 0.35
IKBKB O14920 1/20 0.34
RAF1 P04049 1/20 0.34
ERBB2 P04626 1/20 0.34
CDK1 P06493 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
SRC P12931 1/20 0.34
PDGFRA P16234 1/20 0.34
FGFR3 P22607 1/20 0.34
MAP2K1 Q02750 1/20 0.34
TEK Q02763 1/20 0.34
MAPK14 Q16539 1/20 0.34
AURKB Q96GD4 1/20 0.34
GRM5 P41594 1/20 0.34
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33

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
SCHEMBL5314751 0.92 LCK (0.50) LCKKDRBRAFIRAK4IKBKB
SCHEMBL5314806 0.91 LCK (0.41) LCKKDRBRAFIRAK4IKBKB
SCHEMBL5314588 0.89 LCK (0.41) LCKKDRBRAF
SCHEMBL5312762 0.87 LCK (0.45) LCKKDRBRAF
SCHEMBL5312796 0.87 LCK (0.40) LCKKDRBRAFIRAK4IKBKB
SCHEMBL5315162 0.86 KDR (0.51) LCKKDRBRAF
SCHEMBL5313961 0.84 LCK (0.45) LCKKDRBRAFIRAK4SRC
SCHEMBL5312761 0.82 LCK (0.41) LCKKDRBRAFIRAK4IKBKB
SCHEMBL5314220 0.81 LCK (0.41) LCKKDRBRAFIRAK4
SCHEMBL5314681 0.81 LCK (0.41) LCKKDR

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