SCHEMBL27427484

SCHEMBL27427484

C[C@H]1O[C@@H](n2cnc3c(OCCc4cc(F)c(C#N)c(F)c4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.48
▸ SLC29A1 Q99808 6/20 0.44
▸ DNPH1 O43598 2/20 0.42
▸ ADK P55263 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ AHCY P23526 1/20 0.40

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
SCHEMBL27428044 0.90 ADORA3 (0.47) ADORA3SLC29A1DNPH1ADKADORA1
SCHEMBL27430009 0.89 ADORA3 (0.46) ADORA3SLC29A1DNPH1ADKADORA1
SCHEMBL27433534 0.85 ADORA3 (0.52) ADORA3SLC29A1DNPH1ADKADORA1
SCHEMBL27424596 0.85 SLC29A1 (0.52) ADORA3SLC29A1DNPH1ADKADORA1
SCHEMBL27428840 0.84 SLC29A1 (0.53) ADORA3SLC29A1DNPH1ADKADORA1
SCHEMBL27432258 0.82 ADORA3 (0.48) ADORA3SLC29A1DNPH1ADKAHCY
SCHEMBL27426411 0.81 SLC29A1 (0.56) ADORA3SLC29A1ADORA1
SCHEMBL27431248 0.81 ADORA3 (0.53) ADORA3SLC29A1ADORA1
SCHEMBL27426410 0.81 SLC29A1 (0.56) ADORA3SLC29A1ADORA1AHCY
SCHEMBL27436290 0.80 ADORA3 (0.52) ADORA3SLC29A1ADORA1AHCY

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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