SCHEMBL2372499

SCHEMBL2372499

Nc1ncnc2c1ncn2[C@]1(C2(OCc3ccccc3)CCCC2)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 2/20 0.44
▸ ADORA2A P29274 4/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ SLC29A1 Q99808 2/20 0.43
▸ ADORA3 P0DMS8 4/20 0.42
▸ DOT1L Q8TEK3 3/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ SLC28A1 O00337 1/20 0.42
▸ MAP3K7 O43318 1/20 0.42
▸ SLC28A2 O43868 1/20 0.42
▸ GAPDH P04406 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ STAT6 P42226 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42

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
SCHEMBL8704526 0.83 AHCY (0.47) AHCYADORA2AADORA2BSLC29A1ADORA3
SCHEMBL30673317 0.81 ADORA2A (0.41) AHCYADORA2AADORA2BSLC29A1ADORA3
SCHEMBL2372511 0.81 ADORA2A (0.41) AHCYADORA2AADORA2BSLC29A1ADORA3
SCHEMBL1093482 0.80 ADORA3 (0.49) AHCYADORA2AADORA2BSLC29A1ADORA3
SCHEMBL8651423 0.80 PI4KA (0.52) AHCYADORA2AADORA2BSLC29A1ADORA3
SCHEMBL1434028 0.77 ADORA3 (0.49) AHCYADORA2AADORA2BSLC29A1ADORA3
SCHEMBL622587 0.76 ADORA3 (0.49) AHCYADORA2AADORA2BSLC29A1ADORA3
SCHEMBL2373109 0.76 ADORA2A (0.49) AHCYADORA2AADORA2BSLC29A1ADORA3
SCHEMBL2372382 0.76 ADORA2A (0.49) AHCYADORA2AADORA3ADORA1
SCHEMBL10770761 0.75 ADORA3 (0.46) ADORA2AADORA2BSLC29A1ADORA3DOT1L

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-2552932-A1 ADENOSINE COMPOUNDS AND THEIR USE THEREOF Inotek Pharmaceuticals Corporation (US) 2013-02-06 — — EP disclosed
WO-2011119919-A1 ADENOSINE COMPOUNDS AND THEIR USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2011-09-29 — — WO disclosed
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