SCHEMBL27433457

SCHEMBL27433457

C[C@H]1O[C@@H](n2cnc3c(OCCc4ccc(S(C)(=O)=O)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.53
▸ SLC29A1 Q99808 2/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ ADORA1 P30542 1/20 0.42

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
SCHEMBL27431248 0.87 ADORA3 (0.53) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL27431176 0.87 ADORA3 (0.53) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL27436584 0.85 ADORA3 (0.53) ADORA3SLC29A1ADORA2AADORA2B
SCHEMBL27430074 0.84 ADORA3 (0.51) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL27433337 0.84 ADORA3 (0.51) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL27428840 0.84 SLC29A1 (0.53) ADORA3SLC29A1ADORA1
SCHEMBL27436206 0.83 ADORA3 (0.50) ADORA3SLC29A1
SCHEMBL27432869 0.83 SLC29A1 (0.57) ADORA3SLC29A1
SCHEMBL27430559 0.83 ADORA3 (0.49) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL27430561 0.81 SLC29A1 (0.76) ADORA3SLC29A1

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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