SCHEMBL6863472

SCHEMBL6863472

COC[C@@H]1CC[C@@H](COC)N1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.78

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
SCHEMBL6871917 0.88 ADORA2A (1.00) ADORA2A
SCHEMBL6868032 0.88 ADORA2A (1.00) ADORA2A
SCHEMBL6868028 0.88 ADORA2A (1.00) ADORA2A
SCHEMBL6867883 0.85 ADORA2A (0.76) ADORA2A
SCHEMBL6863133 0.85 ADORA2A (0.76) ADORA2A
SCHEMBL6870139 0.83 ADORA2A (0.79) ADORA2A
SCHEMBL6863929 0.82 ADORA2A (0.68) ADORA2A
SCHEMBL6863474 0.80 ADORA2A (0.63) ADORA2A
SCHEMBL6863768 0.79 ADORA2A (0.80) ADORA2A
SCHEMBL6871736 0.79 ADORA2A (0.69) 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 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