SCHEMBL6863814

SCHEMBL6863814

Nc1cc(C(=O)N2CCCC2)cc2nc(-c3nccs3)nn12

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.67
HPGD P15428 1/20 0.47
ABL1 P00519 3/20 0.41
BCR P11274 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD11B1 P28845 1/20 0.38

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
SCHEMBL6863682 0.99 ADORA2A (0.66) ADORA2AHPGDABL1BCRKDM4E
SCHEMBL6863267 0.99 ADORA2A (0.66) ADORA2AHPGDABL1BCRKDM4E
SCHEMBL6870030 0.99 ADORA2A (0.66) ADORA2AHPGDABL1BCRKDM4E
SCHEMBL6870405 0.91 ADORA2A (0.60) ADORA2AHPGDABL1BCR
SCHEMBL6870494 0.89 ADORA2A (0.53) ADORA2AHPGDABL1BCR
SCHEMBL6870280 0.89 ADORA2A (0.53) ADORA2AHPGDABL1BCRKDM4E
SCHEMBL6871629 0.87 ADORA2A (0.53) ADORA2AHPGDABL1BCR
SCHEMBL6867345 0.87 ADORA2A (0.63) ADORA2AHPGD
SCHEMBL6863435 0.86 ADORA2A (0.51) ADORA2AHPGDABL1BCR
SCHEMBL6872157 0.85 ADORA2A (0.50) 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