SCHEMBL17825937

SCHEMBL17825937

OC[C@H]1OC(n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.80
▸ ADORA2A P29274 6/20 0.80
▸ ADORA1 P30542 5/20 0.80
▸ ADORA2B P29275 1/20 0.80
▸ SLC29A1 Q99808 3/20 0.79
▸ TP53 P04637 1/20 0.79
▸ TDP1 Q9NUW8 1/20 0.79
▸ PRKAG1 P54619 1/20 0.74
▸ PRKAA1 Q13131 1/20 0.74
▸ PRKAB1 Q9Y478 1/20 0.74

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
SCHEMBL639703 1.00 ADORA3 (0.80) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL17824406 1.00 ADORA3 (0.80) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL639702 1.00 ADORA3 (0.80) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL638746 0.91 ADORA3 (0.75) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL638745 0.91 ADORA3 (0.75) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL17824474 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL17824486 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL640370 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL17825920 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL639151 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1

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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