SCHEMBL14964262

SCHEMBL14964262

COCC(C)N/C(=N\C#N)NCc1nonc1C(=N)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL14964264 1.00 MAPK1 (0.30) MAPK1MAPTHTT
SCHEMBL14964231 0.92 USP2 (0.34)
SCHEMBL14964229 0.92 USP2 (0.34)
SCHEMBL16435032 0.92 IDO1 (0.33)
SCHEMBL16435031 0.92 IDO1 (0.33)
SCHEMBL14964216 0.88 MAPT (0.37) MAPTHTT
SCHEMBL14964217 0.88 MAPT (0.37) MAPTHTT
SCHEMBL4972930 0.86 IDO1 (0.31)
SCHEMBL14980203 0.86 SMN1; SMN2 (0.35) MAPK1MAPT
SCHEMBL14964323 0.86 IDO1 (0.32)

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