SCHEMBL27429696

SCHEMBL27429696

C[C@H]1O[C@@H](n2cnc3c(COc4ccc(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 2/20 0.48
▸ ADK P55263 1/20 0.45
▸ SLC29A1 Q99808 8/20 0.44
▸ RNMT O43148 1/20 0.43
▸ ADORA1 P30542 1/20 0.42
▸ METTL3 Q86U44 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
SCHEMBL27431352 0.83 ADORA3 (0.54) ADORA3SLC29A1ADORA1
SCHEMBL27424596 0.82 SLC29A1 (0.52) ADORA3ADKSLC29A1RNMTADORA1
SCHEMBL27431030 0.81 SLC29A1 (0.60) ADORA3SLC29A1ADORA1
SCHEMBL27428046 0.81 ADORA3 (0.52) ADORA3SLC29A1ADORA1
SCHEMBL27428044 0.80 ADORA3 (0.47) ADORA3ADKSLC29A1RNMTADORA1
SCHEMBL27434586 0.76 SLC29A1 (0.48) ADORA3ADKSLC29A1ADORA1
SCHEMBL27436134 0.74 SLC29A1 (0.56) ADORA3ADKSLC29A1
SCHEMBL27434287 0.73 ADORA3 (0.51) ADORA3ADKSLC29A1ADORA1
SCHEMBL27431103 0.72 ADORA3 (0.53) ADORA3SLC29A1
SCHEMBL27426410 0.71 SLC29A1 (0.56) ADORA3SLC29A1ADORA1

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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