SCHEMBL14314776

SCHEMBL14314776

CBc1cc([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)n2ncnc(N)c12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.42
▸ ACVRL1 P37023 8/20 0.36
▸ TNK2 Q07912 5/20 0.36
▸ ADA P00813 1/20 0.33
▸ INSR P06213 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ PIK3CD O00329 1/20 0.32

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
SCHEMBL13519782 0.88 ADORA2A (0.44) ADORA2AACVRL1TNK2ADAPIK3CD
SCHEMBL13531953 0.87 ADORA2A (0.43) ADORA2AACVRL1TNK2ADAPIK3CD
SCHEMBL7598953 0.86 ADORA2A (0.43) ADORA2AACVRL1TNK2ADAPIK3CD
SCHEMBL13519842 0.86 ADORA2A (0.43) ADORA2AACVRL1TNK2ADAPIK3CD
SCHEMBL646044 0.86 ADORA2A (0.43) ADORA2AACVRL1PIK3CD
SCHEMBL13531963 0.86 ADORA2A (0.43) ADORA2AACVRL1ADA
SCHEMBL645160 0.86 ADORA2A (0.43) ADORA2AACVRL1TNK2
SCHEMBL644948 0.84 ADORA2A (0.41) ADORA2AACVRL1TNK2ADAPIK3CD
SCHEMBL13519808 0.84 ADORA2A (0.41) ADORA2AACVRL1TNK2ADA
SCHEMBL647116 0.84 ADORA2A (0.41) ADORA2AACVRL1TNK2ADA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2535345-A1 Anticancer nucleoside analogs BioCryst Pharmaceuticals, Inc. (US) 2012-12-19 — — EP disclosed
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