SCHEMBL6872071

SCHEMBL6872071

CC(C)N(C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.64

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
SCHEMBL6863095 0.88 ADORA2A (0.67) ADORA2A
SCHEMBL6867947 0.86 ADORA2A (0.74) ADORA2A
SCHEMBL6869830 0.86 ADORA2A (0.72) ADORA2A
SCHEMBL6870569 0.83 ADORA2A (0.73) ADORA2A
SCHEMBL6871876 0.82 ADORA2A (0.61) ADORA2A
SCHEMBL6869908 0.81 ADORA2A (0.80) ADORA2A
SCHEMBL6869597 0.81 ADORA2A (0.61) ADORA2A
SCHEMBL6867483 0.81 ADORA2A (0.79) ADORA2A
SCHEMBL6863337 0.79 ADORA2A (0.83) ADORA2A
SCHEMBL6873039 0.79 ADORA2A (0.66) ADORA2A

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