Adenosine

Adenosine

SCHEMBL18953147

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=C[C@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)OP(=O)(O)OBr

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3

The experimentally established mechanism targets of Adenosine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 known ✓ P30542 3/20 0.58
ADORA3 known ✓ P0DMS8 1/20 0.58
ADORA2A known ✓ P29274 1/20 0.58
ADORA2B known ✓ P29275 1/20 0.58
P2RY2 P41231 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.58
DPP4 P27487 1/20 0.58
MEN1 O00255 1/20 0.58
SLC28A1 O00337 1/20 0.58
MAP3K7 O43318 1/20 0.58
SLC28A2 O43868 1/20 0.58
GAPDH P04406 1/20 0.58
MAPK1 P28482 1/20 0.58
STAT6 P42226 1/20 0.58
PI4KA P42356 1/20 0.58
KMT2A Q03164 1/20 0.58
PI4K2B Q8TCG2 1/20 0.58
DOT1L Q8TEK3 1/20 0.58
SLC29A1 Q99808 1/20 0.58
PI4K2A Q9BTU6 1/20 0.58

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
Adenosine SCHEMBL27686613 0.97 P2RY2 (0.65) P2RY2ADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL9419203 0.95 ADORA1 (0.63) P2RY2ADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL28057366 0.91 ADORA1 (0.67) P2RY2ADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL3043097 0.91 P2RY2 (0.58) P2RY2ADORA1SMN1; SMN2DPP4MEN1
Adenosine Diphosphate SCHEMBL30751027 0.90 P2RY1 (0.72) P2RY2ADORA1SMN1; SMN2P2RY1SRC
Adenosine Diphosphate SCHEMBL22498771 0.90 P2RY1 (0.72) P2RY2ADORA1SMN1; SMN2P2RY1SRC
Adenosine Diphosphate SCHEMBL424711 0.90 P2RY1 (0.72) P2RY2ADORA1SMN1; SMN2P2RY1SRC
Adenosine SCHEMBL21067523 0.90 P2RY2 (0.62) P2RY2ADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL2327105 0.90 ADORA3 (0.72) P2RY2ADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL26612876 0.90 ADORA3 (0.72) P2RY2ADORA1SMN1; SMN2DPP4MEN1

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
EP-3386510-B1 PHOSPHOROUS DERIVATIVES FOR THE PREVENTION OR TREATMENT OF MUSCULAR MYOPATHIES AND TRAUMATIC INJURIES TO MUSCLES CENTRE NAT RECH SCIENT (FR) 2024-01-31 EP disclosed
EP-3386510-A2 CARBOLINE DERIVATIVES OR PHOSPHOROUS DERIVATIVES FOR THE PREVENTION OR TREATMENT OF MUSCULAR MYOPATHIES AND TRAUMATIC INJURIES TO MUSCLES Centre National De La Recherche Scientifique (FR) 2018-10-17 EP disclosed
WO-2017098173-A2 COMPOUNDS, AND COMPOSITIONS COMPRISING SUCH COMPOUNDS FOR THE PREVENTION OR TREATMENT OF MUSCULAR MYOPATHIES AND TRAUMATIC INJURIES TO MUSCLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-06-15 WO disclosed