SCHEMBL6863344

SCHEMBL6863344

CN(C)C(=O)CN(C)C(=O)c1cc(N)n2nc(-c3ccccn3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.63
F12 P00748 10/20 0.40
F2 P00734 8/20 0.40
PLAU P00749 2/20 0.39
PLG P00747 1/20 0.39

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
SCHEMBL6870369 0.89 ADORA2A (0.61) ADORA2AF12F2PLAUPLG
SCHEMBL6871898 0.87 ADORA2A (0.62) ADORA2AF12F2PLAUPLG
SCHEMBL6869917 0.86 ADORA2A (0.58) ADORA2AF12F2
SCHEMBL6870552 0.85 ADORA2A (0.57) ADORA2AF12F2PLAUPLG
SCHEMBL6872326 0.85 ADORA2A (0.57) ADORA2AF12F2PLAUPLG
SCHEMBL6863310 0.84 ADORA2A (0.64) ADORA2AF12F2PLAUPLG
SCHEMBL6870136 0.82 ADORA2A (0.61) ADORA2AF12F2PLAUPLG
SCHEMBL6867223 0.82 ADORA2A (0.60) ADORA2AF12F2PLAUPLG
SCHEMBL6863346 0.81 ADORA2A (0.62) ADORA2AF12F2PLAUPLG
SCHEMBL6869794 0.81 ADORA2A (0.59) ADORA2AF12F2PLAUPLG

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 1 patent. 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 disclosed