SCHEMBL6869836

SCHEMBL6869836

Nc1cc(C(=O)NCCC2CCCCC2)cc2nc(-c3ccc(Br)o3)nn12

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.61

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
SCHEMBL6863092 0.92 ADORA2A (0.64) ADORA2A
SCHEMBL6868155 0.86 ADORA2A (0.53) ADORA2A
SCHEMBL6873039 0.86 ADORA2A (0.66) ADORA2A
SCHEMBL6870329 0.82 ADORA2A (0.66) ADORA2A
SCHEMBL6863192 0.82 ADORA2A (0.71) ADORA2A
SCHEMBL6863733 0.81 ADORA2A (0.50) ADORA2A
SCHEMBL6871448 0.81 ADORA2A (0.65) ADORA2A
SCHEMBL6871777 0.80 ADORA2A (0.55) ADORA2A
SCHEMBL6870936 0.79 ADORA2A (0.64) ADORA2A
SCHEMBL6863790 0.79 KIT (0.46) 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 6 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
EP-1347974-A1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-01 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
WO-2002048145-A1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 WO disclosed