SCHEMBL27937290

SCHEMBL27937290

COc1nc(NC(=O)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.62
▸ ADORA2B P29275 7/20 0.62
▸ NT5E P21589 1/20 0.58
▸ ADORA3 P0DMS8 9/20 0.57
▸ ADORA1 P30542 9/20 0.57
▸ SLC29A1 Q99808 1/20 0.54

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
SCHEMBL4168665 0.88 ADORA2A (0.65) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6684504 0.84 ADORA1 (0.55) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL18479661 0.84 SLC29A1 (0.61) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL6762866 0.84 ADORA3 (0.75) ADORA2AADORA2BADORA3ADORA1
SCHEMBL19366649 0.84 NT5E (0.73) ADORA2AADORA2BNT5EADORA3ADORA1
SCHEMBL14088760 0.84 NT5E (0.73) ADORA2AADORA2BNT5EADORA3ADORA1
SCHEMBL14075807 0.84 NT5E (0.73) ADORA2AADORA2BNT5EADORA3ADORA1
SCHEMBL9945526 0.83 LMNA (0.72) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL17889837 0.83 LMNA (0.72) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL21953578 0.83 LMNA (0.72) ADORA2AADORA2BADORA3ADORA1SLC29A1

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
CN-103319555-A Preparation method of 2'-methoxy adenosine HUAIHAI INST TECHNOLOGY 2013-09-25 — — CN disclosed
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