SCHEMBL174906

SCHEMBL174906

N#Cc1cccc(-c2nc(N)sc2C(=O)c2ccccc2Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORB Q92753 19/20 0.74
RORC P51449 2/20 0.61
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL257572 0.85 RORB (1.00) RORBRORC
SCHEMBL175512 0.84 RORB (0.54) RORBRORCADORA2AADORA1
SCHEMBL257608 0.84 RORB (0.83) RORBRORC
SCHEMBL257271 0.81 RORB (0.76) RORBRORC
SCHEMBL257142 0.80 RORB (1.00) RORBRORC
SCHEMBL257437 0.79 RORB (0.76) RORBRORC
SCHEMBL257434 0.76 RORB (0.79) RORBRORC
SCHEMBL257203 0.76 RORB (0.67) RORBRORC
SCHEMBL6288104 0.75 ALDH1A1 (0.69) ADORA2A
SCHEMBL175295 0.74 RORB (0.67) RORBRORC

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
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed