SCHEMBL6684253

SCHEMBL6684253

CONC(=O)C(O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.68
▸ ADORA2B P29275 4/20 0.68
▸ AHCY P23526 5/20 0.65
▸ HSP90B1 P14625 3/20 0.62
▸ ADORA2A P29274 2/20 0.62
▸ HSP90AA1 P07900 2/20 0.62
▸ TSHR P16473 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ THRB P10828 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ ADORA1 P30542 1/20 0.62
▸ HIF1A Q16665 1/20 0.58
▸ TMEM97 Q5BJF2 1/20 0.58
▸ SIGMAR1 Q99720 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
SCHEMBL11410351 0.90 AHCY (0.67) ADORA3ADORA2BAHCYHSP90B1ADORA2A
SCHEMBL11131647 0.90 AHCY (0.67) ADORA3ADORA2BAHCYHSP90B1ADORA2A
SCHEMBL9493927 0.90 ADORA3 (0.70) ADORA3ADORA2BAHCYHSP90B1ADORA2A
SCHEMBL11408861 0.89 ADORA3 (0.67) ADORA3ADORA2BAHCYHSP90B1ADORA2A
SCHEMBL11407181 0.88 ADORA3 (0.70) ADORA3ADORA2BAHCYHSP90B1ADORA2A
SCHEMBL11421032 0.88 ADORA3 (0.64) ADORA3ADORA2BAHCYHSP90B1ADORA2A
SCHEMBL11409857 0.88 ADORA3 (0.70) ADORA3ADORA2BAHCYHSP90B1ADORA2A
SCHEMBL11413667 0.87 ADORA2B (0.69) ADORA3ADORA2BAHCYHSP90B1ADORA2A
SCHEMBL1000839 0.87 ADORA2B (0.69) ADORA3ADORA2BAHCYHSP90B1ADORA2A
SCHEMBL11409572 0.85 HSP90B1 (0.59) ADORA3ADORA2BAHCYHSP90B1ADORA2A

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-1469864-A1 COMPOUNDS USEFUL AS A-3 ADENOSINE RECEPTOR AGONISTS MUSCAGEN LIMITED (GB) 2004-10-27 — — EP disclosed
WO-2003061670-A1 COMPOUNDS USEFUL AS A3 ADENOSINE RECEPTOR AGONISTS MUSCAGEN LIMITED (GB) 2003-07-31 — — WO disclosed
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