SCHEMBL30411984

SCHEMBL30411984

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

nearest known ligand 0.98

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.74
▸ ADORA3 P0DMS8 3/20 0.74
▸ ADORA2A P29274 2/20 0.74
▸ TSHR P16473 1/20 0.66
▸ NFKB1 P19838 1/20 0.66
▸ STAT6 P42226 1/20 0.66
▸ GMNN O75496 1/20 0.66
▸ BLM P54132 1/20 0.66
▸ PMP22 Q01453 1/20 0.66
▸ PAX8 Q06710 1/20 0.65
▸ PRKAG1 P54619 1/20 0.63
▸ PRKAA1 Q13131 1/20 0.63
▸ PRKAB1 Q9Y478 1/20 0.63

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
SCHEMBL17825998 0.99 ADORA1 (0.75) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL640190 0.99 ADORA1 (0.75) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL19583130 0.99 ADORA1 (0.75) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL640189 0.99 ADORA1 (0.75) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL25173766 0.93 ADORA3 (0.82) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL640011 0.92 ADORA3 (0.83) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL19583146 0.92 ADORA3 (0.83) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL640010 0.92 ADORA3 (0.83) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL25176168 0.92 ADORA3 (0.74) ADORA1ADORA3ADORA2ATSHRNFKB1
SCHEMBL25170536 0.92 PAX8 (0.72) ADORA1ADORA3ADORA2ATSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472642-A1 HETEROCYCLIC PURINE CYTOKININ DERIVATIVES, THEIR USE IN WOUND HEALING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2024-12-11 — — EP disclosed
WO-2023078482-A1 HETEROCYCLIC PURINE CYTOKININ DERIVATIVES, THEIR USE IN WOUND HEALING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-05-11 — — WO disclosed
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