SCHEMBL27424490

SCHEMBL27424490

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 5/20 0.57
▸ ADORA3 P0DMS8 2/20 0.50
▸ AHCY P23526 3/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAB1 Q9Y478 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
SCHEMBL27430559 0.92 ADORA3 (0.49) SLC29A1ADORA3ADORA1
SCHEMBL27428742 0.89 SLC29A1 (0.56) SLC29A1ADORA3AHCYADORA1
SCHEMBL27425126 0.89 SLC29A1 (0.59) SLC29A1ADORA3AHCYADORA1PRKAG1
SCHEMBL27427947 0.89 SLC29A1 (0.61) SLC29A1ADORA3ADORA1PRKAG1PRKAA1
SCHEMBL27426560 0.88 SLC29A1 (0.62) SLC29A1ADORA3AHCYADORA1
SCHEMBL27424987 0.87 SLC29A1 (0.57) SLC29A1ADORA3AHCYADORA1
SCHEMBL27428243 0.87 SLC29A1 (0.57) SLC29A1ADORA3AHCYADORA1
SCHEMBL27423745 0.86 ADORA3 (0.54) SLC29A1ADORA3
SCHEMBL27425390 0.85 SLC29A1 (0.62) SLC29A1ADORA3ADORA1
SCHEMBL27426665 0.85 SLC29A1 (0.59) SLC29A1ADORA3AHCYADORA1

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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