SCHEMBL27432258

SCHEMBL27432258

C[C@H]1O[C@@H](n2cnc3c(OCCc4ccc(C#N)nc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.48
▸ SLC29A1 Q99808 4/20 0.47
▸ DNPH1 O43598 2/20 0.42
▸ ADK P55263 1/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ AHCY P23526 1/20 0.41

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
SCHEMBL27433534 0.89 ADORA3 (0.52) ADORA3SLC29A1DNPH1ADKAHCY
SCHEMBL27428840 0.88 SLC29A1 (0.53) ADORA3SLC29A1DNPH1ADK
SCHEMBL27425551 0.87 ADORA3 (0.48) ADORA3SLC29A1DNPH1ADKAHCY
SCHEMBL27428044 0.84 ADORA3 (0.47) ADORA3SLC29A1DNPH1ADKADORA2A
SCHEMBL27436205 0.84 ADORA3 (0.48) ADORA3SLC29A1ADORA2AADORA2BAHCY
SCHEMBL27430009 0.83 ADORA3 (0.46) ADORA3SLC29A1DNPH1ADKAHCY
SCHEMBL27431248 0.83 ADORA3 (0.53) ADORA3SLC29A1ADORA2AADORA2B
SCHEMBL27431176 0.83 ADORA3 (0.53) ADORA3SLC29A1ADKADORA2AADORA2B
SCHEMBL27433337 0.83 ADORA3 (0.51) ADORA3SLC29A1ADORA2AADORA2B
SCHEMBL27427484 0.82 ADORA3 (0.48) ADORA3SLC29A1DNPH1ADKAHCY

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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