SCHEMBL29573550

SCHEMBL29573550

CCNc1nc(C#CC2CC2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.74
▸ ADORA2A P29274 9/20 0.74
▸ ADORA1 P30542 4/20 0.67

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
SCHEMBL29573934 0.88 ADORA3 (0.62) ADORA3ADORA2AADORA1
SCHEMBL29573447 0.83 ADORA3 (0.55) ADORA3ADORA2AADORA1
SCHEMBL29574534 0.82 ADORA3 (0.56) ADORA3ADORA2AADORA1
SCHEMBL12805062 0.81 ADORA3 (1.00) ADORA3ADORA2AADORA1
SCHEMBL29573594 0.73 ADORA3 (0.44) ADORA3ADORA2AADORA1
SCHEMBL29573844 0.72 ADORA3 (0.64) ADORA3ADORA2AADORA1
SCHEMBL13281963 0.72 ADORA3 (0.79) ADORA3ADORA2AADORA1
SCHEMBL29573997 0.72 ADORA3 (0.66) ADORA3ADORA2AADORA1
SCHEMBL29573464 0.72 ADORA3 (0.69) ADORA3ADORA2AADORA1
SCHEMBL29574004 0.72 ADORA3 (0.69) ADORA3ADORA2AADORA1

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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