SCHEMBL27426665

SCHEMBL27426665

C[C@H]1O[C@@H](n2cnc3c(OCc4ccc(C(F)(F)F)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 6/20 0.59
▸ ADORA3 P0DMS8 1/20 0.52
▸ TRDMT1 O14717 1/20 0.45
▸ ADORA1 P30542 1/20 0.43
▸ AHCY P23526 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
SCHEMBL27426560 0.89 SLC29A1 (0.62) SLC29A1ADORA3ADORA1AHCY
SCHEMBL27430471 0.89 SLC29A1 (0.58) SLC29A1ADORA3TRDMT1ADORA1
SCHEMBL27424987 0.89 SLC29A1 (0.57) SLC29A1ADORA3ADORA1AHCY
SCHEMBL27425390 0.87 SLC29A1 (0.62) SLC29A1ADORA3ADORA1
SCHEMBL27425126 0.86 SLC29A1 (0.59) SLC29A1ADORA3ADORA1AHCY
SCHEMBL27434392 0.86 SLC29A1 (0.59) SLC29A1ADORA3AHCY
SCHEMBL27427947 0.86 SLC29A1 (0.61) SLC29A1ADORA3TRDMT1ADORA1
SCHEMBL27429018 0.86 SLC29A1 (0.51) SLC29A1ADORA3TRDMT1
SCHEMBL27428243 0.85 SLC29A1 (0.57) SLC29A1ADORA3ADORA1AHCY
SCHEMBL27426759 0.85 SLC29A1 (0.59) SLC29A1ADORA3ADORA1AHCY

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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