SCHEMBL6869890

SCHEMBL6869890

CC(C)CN(CC(C)C)C(=O)c1cc(N)n2nc(-c3nccs3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.48
PDE11A Q9HCR9 1/20 0.35
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
F2 P00734 2/20 0.32
MLYCD O95822 2/20 0.32

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
SCHEMBL6863143 0.91 ADORA2A (0.58) ADORA2APDE11AADORA2BADORA1
SCHEMBL6867673 0.87 ADORA2A (0.48) ADORA2APDE11AADORA2BADORA1F2
SCHEMBL6871350 0.86 ADORA2A (0.41) ADORA2AADORA2BADORA1
SCHEMBL6873639 0.86 ADORA2A (0.46) ADORA2APDE11AADORA2BADORA1
SCHEMBL6867629 0.85 ADORA2A (0.41) ADORA2AADORA2BADORA1
SCHEMBL6871963 0.84 ADORA2A (0.35) ADORA2APDE11AADORA2BADORA1
SCHEMBL6868365 0.84 ADORA2A (0.44) ADORA2APDE11AADORA2BADORA1
SCHEMBL6863779 0.84 ADORA2A (0.43) ADORA2APDE11AADORA2BADORA1F2
SCHEMBL6870319 0.83 ADORA2A (0.49) ADORA2APDE11AADORA2BADORA1
SCHEMBL6869063 0.83 ADORA2A (0.46) ADORA2APDE11AADORA2BADORA1F2

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