SCHEMBL17825950

SCHEMBL17825950

OC[C@H]1OC(n2cnc3c(NCc4c(O)cc(O)cc4O)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 1/20 0.73
▸ PRKAA1 Q13131 1/20 0.73
▸ PRKAB1 Q9Y478 1/20 0.73
▸ PAX8 Q06710 3/20 0.72
▸ SLC29A1 Q99808 4/20 0.69
▸ TP53 P04637 3/20 0.69
▸ ADORA3 P0DMS8 3/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ MITF O75030 1/20 0.66
▸ LMNA P02545 1/20 0.66

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
SCHEMBL639937 1.00 PRKAG1 (0.73) PRKAG1PRKAA1PRKAB1PAX8SLC29A1
SCHEMBL19583055 1.00 PRKAG1 (0.73) PRKAG1PRKAA1PRKAB1PAX8SLC29A1
SCHEMBL640090 1.00 PRKAG1 (0.73) PRKAG1PRKAA1PRKAB1PAX8SLC29A1
SCHEMBL638614 0.93 PRKAG1 (0.69) PRKAG1PRKAA1PRKAB1PAX8SLC29A1
SCHEMBL638615 0.93 PRKAG1 (0.69) PRKAG1PRKAA1PRKAB1PAX8SLC29A1
SCHEMBL638584 0.92 ADORA3 (0.71) PRKAG1PRKAA1PRKAB1PAX8SLC29A1
SCHEMBL640358 0.92 ADORA3 (0.71) PRKAG1PRKAA1PRKAB1PAX8SLC29A1
SCHEMBL640357 0.92 ADORA3 (0.71) PRKAG1PRKAA1PRKAB1PAX8SLC29A1
SCHEMBL638585 0.92 ADORA3 (0.71) PRKAG1PRKAA1PRKAB1PAX8SLC29A1
SCHEMBL638943 0.92 ADORA3 (0.69) PRKAG1PRKAA1PRKAB1PAX8SLC29A1

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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