SCHEMBL29573281

SCHEMBL29573281

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ TMIGD3 P0DMS9 1/20 0.40
▸ ADORA1 P30542 8/20 0.40
▸ ADORA2A P29274 9/20 0.39
▸ SLC6A3 Q01959 1/20 0.35
▸ HRH2 P25021 1/20 0.34
▸ HTR5A P47898 1/20 0.34

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
SCHEMBL29573977 0.85 ADORA3 (0.45) ADORA3HTR2BTMIGD3ADORA1ADORA2A
SCHEMBL29574534 0.84 ADORA3 (0.56) ADORA3HTR2BTMIGD3ADORA1ADORA2A
SCHEMBL29573447 0.83 ADORA3 (0.55) ADORA3ADORA1ADORA2A
SCHEMBL29573779 0.82 ADORA3 (0.48) ADORA3HTR2BTMIGD3ADORA1ADORA2A
SCHEMBL29573609 0.81 ADORA3 (0.41) ADORA3HTR2BTMIGD3ADORA1ADORA2A
SCHEMBL30480248 0.77 ADORA3 (0.41) ADORA3ADORA1ADORA2A
SCHEMBL29574040 0.76 ADORA3 (0.43) ADORA3HTR2BTMIGD3ADORA1ADORA2A
SCHEMBL29574002 0.75 ADORA3 (0.40) ADORA3HTR2BTMIGD3ADORA1ADORA2A
SCHEMBL29574451 0.75 ADORA3 (0.36) ADORA3HTR2BTMIGD3ADORA1ADORA2A
SCHEMBL29574430 0.74 ADORA3 (0.54) ADORA3HTR2BTMIGD3ADORA1ADORA2A

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
Send feedback