SCHEMBL30255447

SCHEMBL30255447

CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ncccn4)nc31)[C@H](O)[C@@H]2O

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
SCHEMBL20122173 1.00 ADORA3 (1.00) ADORA3
SCHEMBL16774178 1.00 ADORA3 (1.00) ADORA3
SCHEMBL10323352 0.92 ADORA3 (1.00) ADORA3
SCHEMBL16361553 0.92 ADORA3 (1.00) ADORA3
SCHEMBL18352467 0.92 ADORA3 (0.84) ADORA3
SCHEMBL16361550 0.91 ADORA3 (1.00) ADORA3
SCHEMBL10323827 0.91 ADORA3 (1.00) ADORA3
SCHEMBL20122171 0.90 ADORA3 (1.00) ADORA3
SCHEMBL21758639 0.90 ADORA3 (1.00) ADORA3
SCHEMBL16774276 0.90 ADORA3 (1.00) 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
CN-110003212-B A3 adenosine receptor agonists 美国卫生和人力服务部 2022-12-06 — — CN disclosed
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