SCHEMBL6867372

SCHEMBL6867372

CC1CC(C)CN(C(=O)c2cc(N)n3nc(-c4ccccn4)nc3c2)C1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.74
MAPT P10636 1/20 0.52
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
GAA P10253 1/20 0.45
F2 P00734 3/20 0.43
F12 P00748 3/20 0.43
PLAU P00749 2/20 0.42
PLG P00747 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7143076 0.88 ADORA2A (0.78) ADORA2AMAPT
SCHEMBL6871685 0.85 ADORA2A (0.80) ADORA2AF2F12PLAUPLG
SCHEMBL6867568 0.85 ADORA2A (1.00) ADORA2AF2F12PLAUPLG
SCHEMBL6871467 0.84 ADORA2A (0.98) ADORA2AF2F12PLAU
SCHEMBL6869099 0.84 ADORA2A (0.98) ADORA2AF2F12PLAU
SCHEMBL6869091 0.84 ADORA2A (0.98) ADORA2AF2F12PLAU
SCHEMBL6867942 0.82 ADORA2A (0.71) ADORA2AF2F12PLAUPLG
SCHEMBL6869604 0.82 ADORA2A (0.69) ADORA2AF2F12PLAUPLG
SCHEMBL6871877 0.81 ADORA2A (0.48) ADORA2AMAPTPLA2G1BATG4BGAA
SCHEMBL6863273 0.80 ADORA2A (0.71) ADORA2AGAAF2F12

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 8 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
EP-1347974-A1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-01 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
WO-2002048145-A1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 WO 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