SCHEMBL5312796

SCHEMBL5312796

CONC(=O)c1cc(N(C)c2ccc3nc(Nc4cc(CCl)ccn4)sc3n2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.40
KDR P35968 4/20 0.38
BRAF P15056 3/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
IKBKB O14920 1/20 0.35
RAF1 P04049 1/20 0.35
ERBB2 P04626 1/20 0.35
CDK1 P06493 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
SRC P12931 1/20 0.35
PDGFRA P16234 1/20 0.35
FGFR3 P22607 1/20 0.35
MAP2K1 Q02750 1/20 0.35
TEK Q02763 1/20 0.35
MAPK14 Q16539 1/20 0.35
AURKB Q96GD4 1/20 0.35
ROCK2 O75116 1/20 0.33
CSNK1D P48730 2/20 0.32
RXRA P19793 1/20 0.31

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
SCHEMBL5315703 0.94 LCK (0.40) LCKKDRBRAFIRAK4IKBKB
SCHEMBL5311328 0.88 LCK (0.43) LCKKDR
SCHEMBL5310236 0.87 LCK (0.50) LCKKDR
SCHEMBL5314682 0.87 LCK (0.43) LCKKDRBRAFIRAK4IKBKB
SCHEMBL5311465 0.87 KDR (0.46) LCKKDR
SCHEMBL5312683 0.85 LCK (0.39) LCKKDRBRAFIRAK4IKBKB
SCHEMBL5315267 0.83 LCK (0.40) LCKKDRBRAFIRAK4IKBKB
SCHEMBL5312793 0.81 LCK (0.38) LCKBRAFIRAK4RAF1ROCK2
SCHEMBL5314751 0.79 LCK (0.50) LCKKDRBRAFIRAK4IKBKB
SCHEMBL5310105 0.78 KDR (0.46) LCKKDRBRAF

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