SCHEMBL6863443

SCHEMBL6863443

CN(CCc1ccccn1)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.82

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
SCHEMBL6863149 0.90 ADORA2A (1.00) ADORA2A
SCHEMBL6870197 0.88 ADORA2A (1.00) ADORA2A
SCHEMBL6871495 0.87 ADORA2A (0.68) ADORA2A
SCHEMBL6870094 0.85 ADORA2A (1.00) ADORA2A
SCHEMBL6871288 0.83 ADORA2A (0.89) ADORA2A
SCHEMBL6870951 0.83 ADORA2A (0.85) ADORA2A
SCHEMBL6870021 0.82 ADORA2A (0.83) ADORA2A
SCHEMBL6869087 0.82 ADORA2A (0.87) ADORA2A
SCHEMBL6870506 0.81 ADORA2A (0.55) ADORA2A
SCHEMBL6871856 0.81 ADORA2A (0.78) ADORA2A

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 4 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 claimed
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 claimed
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