SCHEMBL29573571

SCHEMBL29573571

O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCCF)nc(Cl)nc21

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.88
▸ ADORA1 P30542 19/20 0.88
▸ ADORA2A P29274 10/20 0.74
▸ TMIGD3 P0DMS9 1/20 0.67
▸ HTR2C P28335 1/20 0.67
▸ HTR2B P41595 1/20 0.67
▸ HTR3A P46098 1/20 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
SCHEMBL12805145 0.94 ADORA3 (1.00) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL12805062 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL29574523 0.86 ADORA3 (0.76) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL29573308 0.86 ADORA3 (0.78) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL12805033 0.85 ADORA3 (1.00) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL13281963 0.84 ADORA3 (0.79) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL12805001 0.83 ADORA3 (1.00) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL12805044 0.82 ADORA3 (1.00) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL12805767 0.82 ADORA3 (1.00) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL29573603 0.82 ADORA3 (0.62) ADORA3ADORA1ADORA2ATMIGD3HTR2C

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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