SCHEMBL6869475

SCHEMBL6869475

CCCN(CC1CC1)C(=O)c1cc(N)n2nc(-c3ccccn3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.55
CRHR1 P34998 6/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
NAMPT P43490 1/20 0.41
MLYCD O95822 2/20 0.41
SLC6A9 P48067 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
PLAT P00750 1/20 0.39
F2 P00734 2/20 0.38
F12 P00748 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
SCHEMBL6867223 0.91 ADORA2A (0.60) ADORA2AHTR1AHTR2AF2F12
SCHEMBL6869823 0.87 ADORA2A (0.56) ADORA2AHTR1AHTR2AF2F12
SCHEMBL6874231 0.86 ADORA2A (0.48) ADORA2ACRHR1HTR1AHTR2ASLC6A9
SCHEMBL6863310 0.86 ADORA2A (0.64) ADORA2AHCRTR1HCRTR2F2F12
SCHEMBL6871898 0.84 ADORA2A (0.62) ADORA2AF2F12
SCHEMBL6870656 0.83 ADORA2A (0.59) ADORA2AHCRTR1HCRTR2F2F12
SCHEMBL6867158 0.82 ADORA2A (0.43) ADORA2ACRHR1MLYCDPLATF2
SCHEMBL6873020 0.80 ADORA2A (0.53) ADORA2AF2F12
SCHEMBL6872195 0.80 ADORA2A (0.55) ADORA2AF2F12
SCHEMBL6870369 0.80 ADORA2A (0.61) ADORA2AF2F12

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