SCHEMBL30480248

SCHEMBL30480248

CCNc1ccnc2c1ncn2[C@@H]1[C@H]2C[C@H]2[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ ADORA2A P29274 1/20 0.36

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
SCHEMBL29573977 0.83 ADORA3 (0.45) ADORA3ADORA1ADORA2A
SCHEMBL29573779 0.82 ADORA3 (0.48) ADORA3ADORA1ADORA2A
SCHEMBL29574445 0.81 ADORA3 (0.36) ADORA3ADORA1ADORA2A
SCHEMBL30480247 0.81 AHCY (0.44) ADORA3ADORA1ADORA2A
SCHEMBL29573281 0.77 ADORA3 (0.40) ADORA3ADORA1ADORA2A
SCHEMBL29574430 0.77 ADORA3 (0.54) ADORA3ADORA1ADORA2A
SCHEMBL29573572 0.76 ADORA3 (0.48) ADORA3ADORA1ADORA2A
SCHEMBL29574040 0.76 ADORA3 (0.43) ADORA3ADORA1ADORA2A
SCHEMBL30480242 0.73 PI4KA (0.56) ADORA3ADORA1ADORA2A
SCHEMBL23201580 0.70 ADORA3 (0.47) ADORA3ADORA1ADORA2A

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-116457356-A A3 adenosine receptor agonists for use in medicine 生物干预公司 2023-07-18 — — CN disclosed
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