SCHEMBL27428742

SCHEMBL27428742

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 4/20 0.56
▸ ADORA3 P0DMS8 3/20 0.47
▸ ADORA2A P29274 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ DNPH1 O43598 1/20 0.43
▸ AHCY P23526 1/20 0.43
▸ ADORA2B P29275 1/20 0.43

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
SCHEMBL27424490 0.89 SLC29A1 (0.57) SLC29A1ADORA3ADORA1AHCY
SCHEMBL27430471 0.84 SLC29A1 (0.58) SLC29A1ADORA3ADORA2AADORA1
SCHEMBL27430559 0.83 ADORA3 (0.49) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL27427402 0.82 SLC29A1 (0.58) SLC29A1ADORA3DNPH1
SCHEMBL27425126 0.82 SLC29A1 (0.59) SLC29A1ADORA3ADORA2AADORA1AHCY
SCHEMBL27426411 0.82 SLC29A1 (0.56) SLC29A1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL27432869 0.82 SLC29A1 (0.57) SLC29A1ADORA3DNPH1AHCY
SCHEMBL27426560 0.81 SLC29A1 (0.62) SLC29A1ADORA3ADORA2AADORA1AHCY
SCHEMBL27427694 0.80 SLC29A1 (0.56) SLC29A1ADORA3
SCHEMBL27427947 0.80 SLC29A1 (0.61) SLC29A1ADORA3ADORA2AADORA1ADORA2B

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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