SCHEMBL14977196

SCHEMBL14977196

CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3ccnc(C(=O)NC(C)(C)c4ccccc4)c3)cn12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.39
ANO1 Q5XXA6 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAPK14 Q16539 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
HIPK4 Q8NE63 3/20 0.35
DGAT1 O75907 1/20 0.35
PDE2A O00408 2/20 0.35
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
TACR3 P29371 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
KDR P35968 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
SCHEMBL14976233 0.88 KIT (0.38) KITPTGDR2MAPK14SMN1; SMN2DGAT1
SCHEMBL14977224 0.87 KIT (0.39) KITPTGDR2SMN1; SMN2CSNK1DCSNK1E
SCHEMBL14976444 0.86 CSNK1D (0.39) KITPTGDR2CSNK1DCSNK1ETACR3
SCHEMBL14977707 0.85 PPARG (0.39) KITPTGDR2MAPK14SMN1; SMN2
SCHEMBL14977379 0.83 DGAT2 (0.42) KITPTGDR2SMN1; SMN2
SCHEMBL14977623 0.83 PPARG (0.39) KITPTGDR2SMN1; SMN2
SCHEMBL14977718 0.81 ROCK2 (0.35) KITPTGDR2SMN1; SMN2CSNK1DCSNK1E
SCHEMBL14977339 0.81 ROCK2 (0.43) KITPTGDR2
SCHEMBL14977569 0.80 MAPK14 (0.37) MAPK14DGAT1
SCHEMBL14977301 0.80 CSNK1D (0.36) KITPTGDR2CSNK1DCSNK1ETACR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013075173-A1 COMPOUNDS FOR THE TREATMENT OF HCV BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-05-30 WO claimed
WO-2013075173-A1 COMPOUNDS FOR THE TREATMENT OF HCV BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-05-30 WO disclosed
WO-2013075173-A1 COMPOUNDS FOR THE TREATMENT OF HCV BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-05-30 WO disclosed