SCHEMBL2273583

SCHEMBL2273583

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(CCCN(C(=O)O)C(C)(C)C)cn4)c3)n2)cn1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
MET P08581 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
IRAK4 Q9NWZ3 8/20 0.32
IRAK1 P51617 6/20 0.32
RARB P10826 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR3 P22607 1/20 0.31
CTSV O60911 2/20 0.30
CTSL P07711 2/20 0.30
CTSS P25774 2/20 0.30
CTSB P07858 1/20 0.30
CTSK P43235 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
SCHEMBL2220291 0.88 ENPP2 (0.36) ENPP2HSD17B13METPPARGPPARA
SCHEMBL2221585 0.88 MET (0.37) ENPP2HSD17B13METIRAK4IRAK1
SCHEMBL2221574 0.86 IRAK1 (0.39) ENPP2HSD17B13METPPARGPPARA
SCHEMBL12517647 0.85 RARB (0.36) ENPP2HSD17B13IRAK4IRAK1RARB
SCHEMBL2268987 0.85 HSD17B13 (0.37) ENPP2HSD17B13METPPARGPPARA
SCHEMBL13275654 0.85 IRAK4 (0.38) ENPP2HSD17B13METPPARGPPARA
SCHEMBL2221344 0.84 IRAK1 (0.40) ENPP2HSD17B13METPPARGPPARA
SCHEMBL2269058 0.84 ENPP2 (0.41) ENPP2HSD17B13METPPARGPPARA
SCHEMBL13275650 0.84 ENPP2 (0.35) ENPP2HSD17B13METPPARGPPARA
SCHEMBL2264978 0.83 MET (0.37) ENPP2HSD17B13METPPARGPPARA

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-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed