SCHEMBL27436584

SCHEMBL27436584

C[C@H]1O[C@@H](n2cnc3c(OCCc4ccc([S+](C)[O-])cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.53
▸ SLC29A1 Q99808 3/20 0.49
▸ AMD1 P17707 1/20 0.42
▸ ADORA2A P29274 3/20 0.42
▸ ADORA2B P29275 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL27431176 0.87 ADORA3 (0.53) ADORA3SLC29A1ADORA2AADORA2B
SCHEMBL27431248 0.87 ADORA3 (0.53) ADORA3SLC29A1ADORA2AADORA2BLMNA
SCHEMBL27433457 0.85 ADORA3 (0.53) ADORA3SLC29A1ADORA2AADORA2B
SCHEMBL27433337 0.84 ADORA3 (0.51) ADORA3SLC29A1ADORA2AADORA2B
SCHEMBL27428840 0.84 SLC29A1 (0.53) ADORA3SLC29A1
SCHEMBL27430074 0.84 ADORA3 (0.51) ADORA3SLC29A1ADORA2AADORA2BLMNA
SCHEMBL27430559 0.83 ADORA3 (0.49) ADORA3SLC29A1ADORA2AADORA2B
SCHEMBL27436206 0.81 ADORA3 (0.50) ADORA3SLC29A1
SCHEMBL27426560 0.80 SLC29A1 (0.62) ADORA3SLC29A1ADORA2AADORA2B
SCHEMBL27436290 0.79 ADORA3 (0.52) ADORA3SLC29A1ADORA2AADORA2BMAPK1

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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