SCHEMBL15988282

SCHEMBL15988282

C#CCn1cc(-c2nc3c([nH]2)c(=O)n(CCC)c(=O)n3CC)cn1

nearest known ligand 0.94

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 20/20 0.94
▸ ADORA2A P29274 4/20 0.70
▸ ADORA1 P30542 4/20 0.70
▸ ADORA3 P0DMS8 1/20 0.65

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
SCHEMBL1065914 0.97 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4397341 0.84 ADORA2B (0.95) ADORA2BADORA2AADORA1
SCHEMBL4405247 0.83 ADORA2B (1.00) ADORA2B
SCHEMBL1946601 0.82 ADORA2A (1.00) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1946456 0.82 ADORA2B (0.74) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1945002 0.82 ADORA2B (0.84) ADORA2BADORA2AADORA1ADORA3
SCHEMBL15988336 0.82 ADORA2B (0.73) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1065915 0.81 ADORA2B (0.83) ADORA2BADORA2AADORA1
SCHEMBL4399842 0.81 ADORA2B (1.00) ADORA2B
SCHEMBL1065130 0.81 ADORA2B (1.00) ADORA2B

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-2268641-B1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT LTD (IN) 2014-09-03 — — EP claimed
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