SCHEMBL27427947

SCHEMBL27427947

COc1ccc(COc2ncnc3c2ncn3[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 4/20 0.61
▸ ADORA3 P0DMS8 1/20 0.53
▸ ADORA1 P30542 1/20 0.52
▸ ADORA2A P29274 3/20 0.49
▸ ADORA2B P29275 3/20 0.49
▸ PRKAG1 P54619 1/20 0.49
▸ PRKAA1 Q13131 1/20 0.49
▸ PRKAB1 Q9Y478 1/20 0.49
▸ ADK P55263 1/20 0.48
▸ TRDMT1 O14717 1/20 0.46

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
SCHEMBL27426560 0.89 SLC29A1 (0.62) SLC29A1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL27425390 0.89 SLC29A1 (0.62) SLC29A1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL27424490 0.89 SLC29A1 (0.57) SLC29A1ADORA3ADORA1PRKAG1PRKAA1
SCHEMBL27428243 0.89 SLC29A1 (0.57) SLC29A1ADORA3ADORA1
SCHEMBL27424987 0.89 SLC29A1 (0.57) SLC29A1ADORA3ADORA1
SCHEMBL27428648 0.86 SLC29A1 (0.59) SLC29A1ADORA3ADORA1
SCHEMBL27426759 0.86 SLC29A1 (0.59) SLC29A1ADORA3ADORA1ADORA2A
SCHEMBL27426665 0.86 SLC29A1 (0.59) SLC29A1ADORA3ADORA1TRDMT1
SCHEMBL27425126 0.86 SLC29A1 (0.59) SLC29A1ADORA3ADORA1ADORA2APRKAG1
SCHEMBL27434392 0.86 SLC29A1 (0.59) SLC29A1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024134541-A1 HETEROCYCLIC COMPOUNDS AS ENT INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2024-06-27 — — WO disclosed
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