SCHEMBL4453203

SCHEMBL4453203

C#CCn1c(=O)n(C)c(=O)c2[nH]c(C=Cc3cccc(OC)c3)nc21

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.56
▸ ADORA2B P29275 1/20 0.56
▸ ADORA1 P30542 1/20 0.56

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
SCHEMBL4456982 0.93 ADORA2A (0.58) ADORA2AADORA2BADORA1
SCHEMBL29448500 0.87 ADORA2A (0.70) ADORA2AADORA2BADORA1
SCHEMBL2539375 0.87 ADORA2A (0.70) ADORA2AADORA2BADORA1
SCHEMBL2539373 0.87 ADORA2A (0.70) ADORA2AADORA2BADORA1
SCHEMBL24305379 0.84 ADORA2A (0.57) ADORA2AADORA2BADORA1
SCHEMBL29499431 0.83 GLA (0.58) ADORA2AADORA2BADORA1
SCHEMBL24304503 0.83 GLA (0.58) ADORA2AADORA2BADORA1
SCHEMBL27123775 0.83 GLA (0.58) ADORA2AADORA2BADORA1
SCHEMBL26979963 0.83 GLA (0.72) ADORA2AADORA2BADORA1
SCHEMBL27125885 0.83 GLA (0.72) ADORA2AADORA2BADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111231-A2 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NorthEastern University (US) 2009-10-28 — — EP claimed
WO-2008147482-A2 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2008-12-04 — — WO claimed
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