SCHEMBL29574430

SCHEMBL29574430

CCNc1nc(I)nc2c1ncn2[C@@H]1[C@H]2C[C@H]2[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.54
▸ ADORA1 P30542 11/20 0.54
▸ TMIGD3 P0DMS9 2/20 0.52
▸ ADORA2A P29274 10/20 0.48
▸ CDK1 P06493 2/20 0.44
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ HTR3A P46098 1/20 0.40

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
SCHEMBL29575031 0.88 ADORA3 (0.46) ADORA3ADORA1TMIGD3ADORA2ACDK1
SCHEMBL30480263 0.83 ADORA3 (0.48) ADORA3ADORA1ADORA2A
SCHEMBL29573447 0.82 ADORA3 (0.55) ADORA3ADORA1ADORA2A
SCHEMBL15935848 0.82 ADORA3 (0.40) ADORA3ADORA1TMIGD3ADORA2AHTR2C
SCHEMBL26969051 0.82 ADORA3 (0.40) ADORA3ADORA1TMIGD3ADORA2AHTR2C
SCHEMBL12509206 0.82 ADORA3 (0.40) ADORA3ADORA1TMIGD3ADORA2AHTR2C
SCHEMBL29573977 0.80 ADORA3 (0.45) ADORA3ADORA1TMIGD3ADORA2AHTR2C
SCHEMBL29573779 0.79 ADORA3 (0.48) ADORA3ADORA1TMIGD3ADORA2AHTR2C
SCHEMBL29573572 0.79 ADORA3 (0.48) ADORA3ADORA1TMIGD3ADORA2AHTR2C
SCHEMBL29573771 0.78 ADORA3 (0.61) ADORA3ADORA1TMIGD3ADORA2AHTR2C

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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