SCHEMBL17825935

SCHEMBL17825935

COc1ccc(CNc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@@H]2O)c(O)c1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.73
▸ ADORA1 P30542 3/20 0.70
▸ ADORA3 P0DMS8 2/20 0.70
▸ ADORA2A P29274 2/20 0.70
▸ PRKAG1 P54619 2/20 0.67
▸ PRKAA1 Q13131 2/20 0.67
▸ PRKAB1 Q9Y478 2/20 0.67
▸ TSHR P16473 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ STAT6 P42226 1/20 0.67
▸ GMNN O75496 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ PMP22 Q01453 1/20 0.67

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
SCHEMBL639136 1.00 PAX8 (0.73) PAX8ADORA1ADORA3ADORA2APRKAG1
SCHEMBL639137 1.00 PAX8 (0.73) PAX8ADORA1ADORA3ADORA2APRKAG1
SCHEMBL19583081 1.00 PAX8 (0.73) PAX8ADORA1ADORA3ADORA2APRKAG1
SCHEMBL25170536 0.99 PAX8 (0.72) PAX8ADORA1ADORA3ADORA2APRKAG1
SCHEMBL19582993 0.93 PAX8 (0.73) PAX8ADORA1ADORA3ADORA2APRKAG1
SCHEMBL639766 0.93 PAX8 (0.73) PAX8ADORA1ADORA3ADORA2APRKAG1
SCHEMBL639765 0.93 PAX8 (0.73) PAX8ADORA1ADORA3ADORA2APRKAG1
SCHEMBL25173558 0.92 PAX8 (0.72) PAX8ADORA1ADORA3ADORA2APRKAG1
SCHEMBL17825998 0.92 ADORA1 (0.75) PAX8ADORA1ADORA3ADORA2APRKAG1
SCHEMBL640190 0.92 ADORA1 (0.75) PAX8ADORA1ADORA3ADORA2APRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229772-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2017-10-18 — — EP claimed
WO-2016091236-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2016-06-16 — — WO claimed
EP-3229772-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2017-10-18 — — EP disclosed
WO-2016091236-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2016-06-16 — — WO disclosed
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