SCHEMBL6867472

SCHEMBL6867472

COC(=O)c1cc(N)n2nc(-c3ccc[nH]3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.40
CDK8 P49336 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL6871212 0.81 ALDH1A1 (0.48) ADORA2AMAPTNPC1RAB9A
SCHEMBL6863761 0.80 HPGD (0.46) MAPT
SCHEMBL6870753 0.80 ADORA2A (0.37) ADORA2A
SCHEMBL6870751 0.79 ADORA2A (0.41) ADORA2A
SCHEMBL6872919 0.78 KDM4A (0.52) ADORA2AMAPT
SCHEMBL6870583 0.77 ADORA2A (0.66) ADORA2AMAPTNPC1RAB9A
SCHEMBL6869047 0.77 ADORA2A (0.40) ADORA2ACDK8MAPTNPC1RAB9A
SCHEMBL6867888 0.77 ADORA2A (0.66) ADORA2A
SCHEMBL6867379 0.77 ADORA2A (0.66) ADORA2A
SCHEMBL6867645 0.76 POLB (0.49) MAPT

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