SCHEMBL174247

SCHEMBL174247

COCCN(C(=O)O)c1cccc(Cc2nn(-c3cnn(C)c3)ccc2=S)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.34
FGFR1 P11362 3/20 0.33
FGFR3 P22607 3/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
KDR P35968 1/20 0.33
OXTR P30559 1/20 0.32
KDM5A P29375 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
LRRK2 Q5S007 1/20 0.31
NTRK1 P04629 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
FLT3 P36888 1/20 0.31
HSD17B10 Q99714 2/20 0.31
MET P08581 2/20 0.30
MAPT P10636 1/20 0.30
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL2272546 0.91 ENPP2 (0.33) ENPP2FGFR1FGFR3FGFR2FGFR4
SCHEMBL2223471 0.86 ENPP2 (0.33) ENPP2FGFR1FGFR3FGFR2FGFR4
SCHEMBL2221804 0.81 ENPP2 (0.35) ENPP2FGFR1FGFR3EGLN1MET
SCHEMBL2272785 0.81 ENPP2 (0.35) ENPP2FGFR1FGFR3FGFR2FGFR4
SCHEMBL13275143 0.81 OXTR (0.33) OXTRPPARGPPARAEGLN1HSD17B10
SCHEMBL2334239 0.80 ENPP2 (0.34) ENPP2FGFR1FGFR3PPARGPPARA
SCHEMBL2270206 0.80 MERTK (0.32) ENPP2EGLN1MET
SCHEMBL13275265 0.80 DGAT1 (0.34) ENPP2PPARGPPARA
SCHEMBL13275446 0.79 RAB9A (0.37) ENPP2EGLN1
SCHEMBL2221942 0.79 ENPP2 (0.35) ENPP2FGFR1FGFR3EGLN1MET

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
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed