SCHEMBL6863785

SCHEMBL6863785

CCN(C(=O)c1cc(N)n2nc(-c3ccc(C)s3)nc2c1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.44
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 1/20 0.38
F2 P00734 1/20 0.38
ATM Q13315 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL6869714 0.88 ADORA2A (0.43) ADORA2ARAB9AALDH1A1
SCHEMBL6871379 0.81 ADORA2A (0.59) ADORA2ARAB9AALDH1A1F2ATM
SCHEMBL6871395 0.81 ADORA2A (0.48) ADORA2A
SCHEMBL6869830 0.80 ADORA2A (0.72) ADORA2A
SCHEMBL6870443 0.79 LMNA (0.45) ADORA2ARAB9AALDH1A1
SCHEMBL6869707 0.79 KIT (0.44) ADORA2ARAB9AALDH1A1
SCHEMBL6863790 0.77 KIT (0.46) ADORA2ARAB9A
SCHEMBL6871437 0.76 ADORA2A (0.47) ADORA2ARAB9AALDH1A1
SCHEMBL6867615 0.76 ADORA2A (0.69) ADORA2AATM
SCHEMBL6871909 0.75 ADORA2A (0.70) ADORA2AATM

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