SCHEMBL27433636

SCHEMBL27433636

C[C@H]1O[C@@H](n2cnc3c(OCCc4ccc(OC(F)(F)F)nc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.47
▸ SLC29A1 Q99808 7/20 0.46
▸ ADORA2A P29274 3/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ ADORA2B P29275 1/20 0.38

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
SCHEMBL27430637 0.88 ADORA3 (0.47) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL27436205 0.84 ADORA3 (0.48) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL27431248 0.84 ADORA3 (0.53) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL27432258 0.82 ADORA3 (0.48) ADORA3SLC29A1ADORA2AADORA2B
SCHEMBL27424987 0.82 SLC29A1 (0.57) ADORA3SLC29A1ADORA1
SCHEMBL27436290 0.82 ADORA3 (0.52) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL27431176 0.82 ADORA3 (0.53) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL27430074 0.81 ADORA3 (0.51) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL27433981 0.81 ADORA3 (0.51) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL27436371 0.81 ADORA3 (0.53) ADORA3SLC29A1ADORA2AADORA2B

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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