SCHEMBL6869736

SCHEMBL6869736

Nc1cc(C(=O)Nc2ccccc2)cc2nc(-c3ccc(Cl)o3)nn12

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.48
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL6867554 0.88 ADORA2A (0.63) ADORA2A
SCHEMBL6873045 0.88 ADORA2A (0.62) ADORA2AADORA3
SCHEMBL6871404 0.85 ADORA2A (0.51) ADORA2A
SCHEMBL7144637 0.84 ADORA2A (0.55) ADORA2A
SCHEMBL6868100 0.82 ADORA2A (0.44) ADORA2A
SCHEMBL6870664 0.81 TP53 (0.45) ADORA2AADORA3
SCHEMBL6871247 0.81 ADORA2A (0.53) ADORA2A
SCHEMBL6869733 0.79 ADORA2A (0.52) ADORA2A
SCHEMBL6869842 0.78 PLAU (0.48) ADORA2A
SCHEMBL6868483 0.78 ADORA2A (0.64) ADORA2AADORA3

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
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
US-6506772-B1 Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. HOFFMANN-LA ROCHE INC. 2003-01-14 US disclosed