SCHEMBL27430471

SCHEMBL27430471

C[C@H]1O[C@@H](n2cnc3c(OCc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 5/20 0.58
▸ ADORA3 P0DMS8 2/20 0.48
▸ TRDMT1 O14717 1/20 0.48
▸ ADORA1 P30542 3/20 0.47
▸ ADORA2A P29274 1/20 0.47

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
SCHEMBL27426665 0.89 SLC29A1 (0.59) SLC29A1ADORA3TRDMT1ADORA1
SCHEMBL27429018 0.84 SLC29A1 (0.51) SLC29A1ADORA3TRDMT1ADORA2A
SCHEMBL27428742 0.84 SLC29A1 (0.56) SLC29A1ADORA3ADORA1ADORA2A
SCHEMBL27427402 0.84 SLC29A1 (0.58) SLC29A1ADORA3
SCHEMBL27427944 0.83 SLC29A1 (0.51) SLC29A1ADORA3ADORA1ADORA2A
SCHEMBL27426411 0.83 SLC29A1 (0.56) SLC29A1ADORA3ADORA1ADORA2A
SCHEMBL27432869 0.83 SLC29A1 (0.57) SLC29A1ADORA3
SCHEMBL27426560 0.82 SLC29A1 (0.62) SLC29A1ADORA3ADORA1ADORA2A
SCHEMBL27427694 0.81 SLC29A1 (0.56) SLC29A1ADORA3TRDMT1
SCHEMBL27426410 0.81 SLC29A1 (0.56) SLC29A1ADORA3ADORA1ADORA2A

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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