SCHEMBL4368296

SCHEMBL4368296

ON=C(Nc1ccc(F)c(C(F)(F)F)c1)c1nonc1[AsH2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.44
IDO1 P14902 7/20 0.41
AR P10275 1/20 0.40
BLM P54132 1/20 0.39
WRN Q14191 1/20 0.39
KDR P35968 3/20 0.37
FLT3 P36888 2/20 0.37
KIT P10721 1/20 0.37
CDK8 P49336 1/20 0.36
BRAF P15056 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
RIPK1 Q13546 2/20 0.35
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 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
SCHEMBL4368291 1.00 GRM4 (0.44) GRM4IDO1ARBLMWRN
SCHEMBL2517447 0.85 IDO1 (0.46) GRM4IDO1ARKDRFLT3
SCHEMBL21118310 0.85 IDO1 (0.46) GRM4IDO1ARKDRFLT3
SCHEMBL2517446 0.85 IDO1 (0.46) GRM4IDO1ARKDRFLT3
SCHEMBL20585351 0.79 IDO1 (0.67) IDO1
SCHEMBL20585356 0.79 IDO1 (0.67) IDO1
SCHEMBL19004394 0.79 IDO1 (0.67) IDO1
SCHEMBL19004557 0.77 IDO1 (0.60) IDO1
SCHEMBL4368299 0.77 IDO1 (0.66) IDO1
SCHEMBL145345 0.77 IDO1 (0.54) IDO1

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
EP-1879573-A4 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORP (US) 2009-07-08 EP claimed
EP-1879573-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Corporation (US) 2008-01-23 EP claimed
WO-2006122150-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2006-11-16 WO claimed