SCHEMBL23097549

SCHEMBL23097549

CNC(=O)[C@@]1(C)[C@H](C)[C@@H](n2cnc3c(NC)nc(C#Cc4cnn(C)c4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.76
▸ ADORA2A P29274 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
SCHEMBL16774274 0.86 ADORA3 (1.00) ADORA3ADORA2A
SCHEMBL30255486 0.86 ADORA3 (1.00) ADORA3ADORA2A
SCHEMBL20122093 0.86 ADORA3 (1.00) ADORA3ADORA2A
SCHEMBL22359602 0.85 ADORA3 (0.74) ADORA3ADORA2A
SCHEMBL23097592 0.85 ADORA3 (0.57) ADORA3
SCHEMBL20122162 0.84 ADORA3 (0.75) ADORA3ADORA2A
SCHEMBL21779293 0.84 ADORA3 (0.77) ADORA3
SCHEMBL18352605 0.82 ADORA3 (0.86) ADORA3ADORA2A
SCHEMBL21779274 0.81 ADORA3 (0.75) ADORA3
SCHEMBL23097545 0.81 ADORA3 (0.75) ADORA3

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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