SCHEMBL14964294

SCHEMBL14964294

N=C(c1nonc1Cn1ncnc1N)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL15093281 0.86 IDO1 (0.33) IDO1TDO2
SCHEMBL14964245 0.82 IDO1 (0.33) IDO1TDO2
SCHEMBL14964196 0.82 IDO1 (0.32) IDO1TDO2
SCHEMBL14964193 0.82 ALDH1A1 (0.31) IDO1TDO2
SCHEMBL14462699 0.82 CYP1A2 (0.40) IDO1TDO2
SCHEMBL14964328 0.81 IDO1 (0.37) IDO1TDO2
SCHEMBL14964185 0.81 POLB (0.32)
SCHEMBL14964338 0.80 IDO1 (0.35) IDO1TDO2
SCHEMBL14964315 0.79 IDO1 (0.32) IDO1TDO2
SCHEMBL14964261 0.78 CYP2A13 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US claimed