SCHEMBL27428139

SCHEMBL27428139

C[C@H]1O[C@@H](n2cnc3c(OCc4ccc(OC(F)(F)F)c(Cl)c4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 6/20 0.50
▸ ADORA3 P0DMS8 3/20 0.46
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ PRMT5 O14744 4/20 0.40
▸ WDR77 Q9BQA1 4/20 0.40
▸ ADK P55263 1/20 0.39

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
SCHEMBL27427694 0.88 SLC29A1 (0.56) SLC29A1ADORA3PRMT5WDR77
SCHEMBL27429018 0.86 SLC29A1 (0.51) SLC29A1ADORA3ADORA2APRMT5WDR77
SCHEMBL27424987 0.86 SLC29A1 (0.57) SLC29A1ADORA3ADORA1
SCHEMBL27427944 0.84 SLC29A1 (0.51) SLC29A1ADORA3ADORA2AADORA1
SCHEMBL27425390 0.83 SLC29A1 (0.62) SLC29A1ADORA3ADORA2AADORA1PRMT5
SCHEMBL27426411 0.82 SLC29A1 (0.56) SLC29A1ADORA3ADORA2AADORA1PRMT5
SCHEMBL27426665 0.82 SLC29A1 (0.59) SLC29A1ADORA3ADORA1
SCHEMBL27427202 0.81 SLC29A1 (0.56) SLC29A1ADORA3ADORA2AADORA1ADK
SCHEMBL27426560 0.81 SLC29A1 (0.62) SLC29A1ADORA3ADORA2AADORA1ADK
SCHEMBL27430471 0.81 SLC29A1 (0.58) SLC29A1ADORA3ADORA2AADORA1

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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