SCHEMBL17825923

SCHEMBL17825923

COc1cc(O)ccc1CNc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.75
▸ ADORA2A P29274 2/20 0.75
▸ ADORA1 P30542 2/20 0.75
▸ PAX8 Q06710 1/20 0.68
▸ 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
▸ PRKAG1 P54619 1/20 0.65
▸ PRKAA1 Q13131 1/20 0.65
▸ PRKAB1 Q9Y478 1/20 0.65
▸ TP53 P04637 1/20 0.64
▸ SLC29A1 Q99808 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL639393 1.00 ADORA3 (0.75) ADORA3ADORA2AADORA1PAX8TSHR
SCHEMBL19583005 1.00 ADORA3 (0.75) ADORA3ADORA2AADORA1PAX8TSHR
SCHEMBL639392 1.00 ADORA3 (0.75) ADORA3ADORA2AADORA1PAX8TSHR
SCHEMBL25176168 0.99 ADORA3 (0.74) ADORA3ADORA2AADORA1PAX8TSHR
SCHEMBL17825915 0.93 ADORA3 (0.83) ADORA3ADORA2AADORA1PAX8TSHR
SCHEMBL638990 0.93 ADORA3 (0.83) ADORA3ADORA2AADORA1PAX8TSHR
SCHEMBL19583036 0.93 ADORA3 (0.83) ADORA3ADORA2AADORA1PAX8TSHR
SCHEMBL638991 0.93 ADORA3 (0.83) ADORA3ADORA2AADORA1PAX8TSHR
SCHEMBL17825998 0.92 ADORA1 (0.75) ADORA3ADORA2AADORA1PAX8TSHR
SCHEMBL640190 0.92 ADORA1 (0.75) ADORA3ADORA2AADORA1PAX8TSHR

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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