SCHEMBL6872004

SCHEMBL6872004

Nc1cc(C(=O)N2CCCC3CCCCC32)cc2nc(-c3nccs3)nn12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.47
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD11B1 P28845 3/20 0.36
HSD17B1 P14061 1/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL6867753 0.88 ADORA2A (0.61) ADORA2A
SCHEMBL6867359 0.87 ADORA2A (0.62) ADORA2A
SCHEMBL6872157 0.84 ADORA2A (0.50) ADORA2ACNR2
SCHEMBL6867784 0.84 ADORA2A (0.47) ADORA2A
SCHEMBL7150287 0.83 ADORA2A (0.65) ADORA2ACNR2
SCHEMBL7150291 0.83 ADORA2A (0.65) ADORA2ACNR2
SCHEMBL6867465 0.83 ADORA2A (0.65) ADORA2ACNR2
SCHEMBL6863814 0.82 ADORA2A (0.67) ADORA2AHSD11B1
SCHEMBL6863267 0.81 ADORA2A (0.66) ADORA2AHSD11B1
SCHEMBL6870030 0.81 ADORA2A (0.66) ADORA2AHSD11B1

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