SCHEMBL23270042

SCHEMBL23270042

O[C@@H]1[C@H](O)CS[C@H]1c1cnc2c(NCc3cccc(-c4nnn[nH]4)c3)nccn12

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.71

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
Trifluoroacetic Acid SCHEMBL19124598 0.94 ADORA3 (0.66) ADORA3
SCHEMBL19124095 0.88 ADORA3 (0.78) ADORA3
SCHEMBL19125058 0.87 ADORA3 (0.86) ADORA3
SCHEMBL19125091 0.83 ADORA3 (1.00) ADORA3
SCHEMBL19124343 0.83 ADORA3 (1.00) ADORA3
SCHEMBL19125319 0.83 ADORA3 (1.00) ADORA3
SCHEMBL19124306 0.83 ADORA3 (1.00) ADORA3
SCHEMBL19124386 0.83 ADORA3 (1.00) ADORA3
SCHEMBL19124297 0.83 ADORA3 (1.00) ADORA3
SCHEMBL19124660 0.83 ADORA3 (0.47) 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-3402798-B1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF HANDOK INC (KR) 2021-04-28 — — EP claimed
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