SCHEMBL23097649

SCHEMBL23097649

CCc1ccc(C#Cc2nc(NC)c3ncn([C@@H]4C5C[C@@]5(C(=O)NC)[C@@H](O)[C@H]4O)c3n2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 1.00

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
SCHEMBL16774097 1.00 ADORA3 (1.00) ADORA3
SCHEMBL20122062 1.00 ADORA3 (1.00) ADORA3
SCHEMBL30255389 1.00 ADORA3 (1.00) ADORA3
SCHEMBL16774180 0.89 ADORA3 (0.80) ADORA3
SCHEMBL20122058 0.89 ADORA3 (0.80) ADORA3
SCHEMBL23097537 0.89 ADORA3 (0.80) ADORA3
SCHEMBL16361716 0.86 ADORA3 (1.00) ADORA3
SCHEMBL10322540 0.86 ADORA3 (1.00) ADORA3
SCHEMBL24294270 0.86 ADORA3 (0.75) ADORA3
SCHEMBL22359598 0.86 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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