SCHEMBL23097548

SCHEMBL23097548

CNC(=O)[C@@]1(C)C[C@H]2[C@@H](n3cnc4c(NC)nc(C#Cc5ccco5)nc43)[C@@]2(O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.71
▸ ADORA2A P29274 1/20 0.51

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
SCHEMBL23097583 0.87 ADORA3 (0.72) ADORA3ADORA2A
SCHEMBL20122095 0.86 ADORA3 (0.73) ADORA3ADORA2A
SCHEMBL23097630 0.84 ADORA3 (0.75) ADORA3
SCHEMBL22359723 0.84 ADORA3 (0.75) ADORA3
SCHEMBL22359593 0.84 ADORA3 (0.71) ADORA3ADORA2A
SCHEMBL22359756 0.84 ADORA3 (0.71) ADORA3ADORA2A
SCHEMBL30255348 0.83 ADORA3 (1.00) ADORA3
SCHEMBL20122172 0.83 ADORA3 (1.00) ADORA3
SCHEMBL16774187 0.83 ADORA3 (1.00) ADORA3
SCHEMBL23097511 0.83 ADORA3 (0.55) ADORA3ADORA2A

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-3074398-B1 A3 ADENOSINE RECEPTOR AGONISTS US HEALTH (US) 2021-03-17 — — EP disclosed
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