SCHEMBL5967720

SCHEMBL5967720

CNc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 1.00
ADORA2B P29275 9/20 1.00
ADORA3 P0DMS8 5/20 0.81
ADORA1 P30542 3/20 0.81
AHCY P23526 2/20 0.69
HIF1A Q16665 1/20 0.69
TMEM97 Q5BJF2 1/20 0.69
SIGMAR1 Q99720 1/20 0.69
TSHR P16473 1/20 0.61
LMNA P02545 1/20 0.61
THRB P10828 1/20 0.61
BLM P54132 1/20 0.61
KMT2A Q03164 1/20 0.61
HSP90AA1 P07900 1/20 0.61
HSP90B1 P14625 1/20 0.61

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
SCHEMBL13889873 0.90 ADORA2B (0.81) ADORA2AADORA2BADORA3ADORA1AHCY
SCHEMBL13382546 0.84 AHCY (0.74) ADORA2AADORA2BADORA3ADORA1AHCY
SCHEMBL9155975 0.83 AHCY (0.76) ADORA2AADORA2BADORA3ADORA1AHCY
SCHEMBL30555907 0.83 AHCY (0.76) ADORA2AADORA2BADORA3ADORA1AHCY
SCHEMBL9155960 0.83 AHCY (0.76) ADORA2AADORA2BADORA3ADORA1AHCY
SCHEMBL15250732 0.83 ADORA3 (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL19532413 0.83 ADORA3 (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6481597 0.82 ADORA3 (1.00) ADORA2AADORA2BADORA3ADORA1AHCY
5'-Carboxy Adenosine SCHEMBL2117314 0.82 AHCY (1.00) ADORA2AADORA2BADORA3ADORA1AHCY
5'-Carboxy Adenosine SCHEMBL2117257 0.82 AHCY (1.00) ADORA2AADORA2BADORA3ADORA1AHCY

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-1636359-A4 METHODS FOR TREATING PAIN UNIV COLORADO REGENTS (US) 2006-09-13 EP disclosed
EP-1636359-A2 METHODS FOR TREATING PAIN THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2006-03-22 EP disclosed
WO-2005000215-A2 METHODS FOR TREATING PAIN THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2005-01-06 WO disclosed