SCHEMBL27428840

SCHEMBL27428840

C[C@H]1O[C@@H](n2cnc3c(OCCc4ccc(C#N)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 5/20 0.53
▸ ADORA3 P0DMS8 1/20 0.51
▸ DNPH1 O43598 2/20 0.49
▸ ADK P55263 4/20 0.47
▸ NNMT P40261 3/20 0.46
▸ ADORA1 P30542 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
SCHEMBL27432258 0.88 ADORA3 (0.48) SLC29A1ADORA3DNPH1ADK
SCHEMBL27433534 0.88 ADORA3 (0.52) SLC29A1ADORA3DNPH1ADKADORA1
SCHEMBL27431248 0.87 ADORA3 (0.53) SLC29A1ADORA3ADORA1
SCHEMBL27431176 0.87 ADORA3 (0.53) SLC29A1ADORA3ADKADORA1
SCHEMBL27433337 0.87 ADORA3 (0.51) SLC29A1ADORA3ADORA1
SCHEMBL27428044 0.87 ADORA3 (0.47) SLC29A1ADORA3DNPH1ADKADORA1
SCHEMBL27430074 0.85 ADORA3 (0.51) SLC29A1ADORA3ADORA1
SCHEMBL27427484 0.84 ADORA3 (0.48) SLC29A1ADORA3DNPH1ADKADORA1
SCHEMBL27436584 0.84 ADORA3 (0.53) SLC29A1ADORA3
SCHEMBL27433457 0.84 ADORA3 (0.53) SLC29A1ADORA3ADORA1

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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