SCHEMBL29574049

SCHEMBL29574049

CCNc1cc(C#N)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.72
▸ TMIGD3 P0DMS9 3/20 0.72
▸ HTR2B P41595 2/20 0.72
▸ ADORA1 P30542 7/20 0.68
▸ SLC6A3 Q01959 1/20 0.64
▸ HSP90B1 P14625 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
SCHEMBL29573481 0.87 ADORA3 (0.70) ADORA3TMIGD3HTR2BADORA1SLC6A3
SCHEMBL29574457 0.85 ADORA3 (0.54) ADORA3TMIGD3HTR2BADORA1SLC6A3
SCHEMBL21779323 0.84 ADORA3 (1.00) ADORA3TMIGD3HTR2BADORA1SLC6A3
SCHEMBL21779354 0.84 ADORA3 (1.00) ADORA3TMIGD3HTR2BADORA1SLC6A3
SCHEMBL21779294 0.84 ADORA3 (1.00) ADORA3TMIGD3HTR2BADORA1SLC6A3
SCHEMBL16774252 0.84 ADORA3 (1.00) ADORA3TMIGD3HTR2BADORA1SLC6A3
SCHEMBL16774370 0.81 ADORA3 (1.00) ADORA3TMIGD3ADORA1
SCHEMBL25566685 0.81 ADORA3 (0.82) ADORA3TMIGD3ADORA1HSP90B1
SCHEMBL16774258 0.81 ADORA3 (1.00) ADORA3TMIGD3ADORA1
SCHEMBL29575011 0.81 ADORA3 (0.70) ADORA3TMIGD3HTR2BADORA1SLC6A3

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 3 patents. 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
EP-4196219-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR USE IN MEDICINE Biointervene, Inc. (US) 2023-06-21 — — EP disclosed
WO-2022040241-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR USE IN MEDICINE BIOINTERVENE, INC. (US) 2022-02-24 — — WO disclosed
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