SCHEMBL29574534

SCHEMBL29574534

CCNc1cc(C#CC2CC2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.56
▸ ADORA1 P30542 12/20 0.56
▸ ADORA2A P29274 12/20 0.53
▸ TMIGD3 P0DMS9 1/20 0.45
▸ HTR2B P41595 1/20 0.45

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
SCHEMBL29573844 0.84 ADORA3 (0.64) ADORA3ADORA1ADORA2ATMIGD3HTR2B
SCHEMBL29573281 0.84 ADORA3 (0.40) ADORA3ADORA1ADORA2ATMIGD3HTR2B
SCHEMBL29573550 0.82 ADORA3 (0.74) ADORA3ADORA1ADORA2A
SCHEMBL29574004 0.81 ADORA3 (0.69) ADORA3ADORA1ADORA2ATMIGD3HTR2B
SCHEMBL29574509 0.80 ADORA3 (0.52) ADORA3ADORA1TMIGD3HTR2B
SCHEMBL29574325 0.74 ADORA3 (0.61) ADORA3ADORA1ADORA2ATMIGD3HTR2B
SCHEMBL29574782 0.73 ADORA3 (0.56) ADORA3ADORA1ADORA2ATMIGD3HTR2B
SCHEMBL29574294 0.73 ADORA3 (0.52) ADORA3ADORA1ADORA2ATMIGD3HTR2B
SCHEMBL29573934 0.72 ADORA3 (0.62) ADORA3ADORA1ADORA2A
SCHEMBL12805062 0.72 ADORA3 (1.00) ADORA3ADORA1ADORA2ATMIGD3HTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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