SCHEMBL6872134

SCHEMBL6872134

CC(C)CN(CC(C)C)C(=O)Oc1cc(N)n2nc(-c3ccc(Br)o3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.63

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
SCHEMBL6870109 0.90 ADORA2A (0.72) ADORA2A
SCHEMBL6871542 0.88 ADORA2A (0.66) ADORA2A
SCHEMBL6872204 0.88 ADORA2A (0.58) ADORA2A
SCHEMBL6870179 0.87 ADORA2A (0.57) ADORA2A
SCHEMBL6873805 0.86 ADORA2A (0.62) ADORA2A
SCHEMBL6870810 0.85 ADORA2A (0.58) ADORA2A
SCHEMBL6869503 0.85 ADORA2A (0.65) ADORA2A
SCHEMBL6873620 0.85 ADORA2A (0.65) ADORA2A
SCHEMBL6863337 0.85 ADORA2A (0.83) ADORA2A
SCHEMBL6867721 0.84 ADORA2A (0.64) 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 claimed