SCHEMBL27436290

SCHEMBL27436290

C[C@H]1O[C@@H](n2cnc3c(OCCc4cnc(CF)nc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.52
▸ SLC29A1 Q99808 3/20 0.47
▸ AHCY P23526 3/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ SLC28A1 O00337 1/20 0.40
▸ MAP3K7 O43318 1/20 0.40
▸ SLC28A2 O43868 1/20 0.40
▸ GAPDH P04406 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ DOT1L Q8TEK3 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40

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
SCHEMBL27433981 0.90 ADORA3 (0.51) ADORA3SLC29A1AHCYDPP4MEN1
SCHEMBL27431248 0.88 ADORA3 (0.53) ADORA3SLC29A1MAPK1ADORA2AADORA2B
SCHEMBL27436371 0.88 ADORA3 (0.53) ADORA3SLC29A1AHCYADORA2AADORA2B
SCHEMBL27433534 0.86 ADORA3 (0.52) ADORA3SLC29A1AHCYDPP4ADORA1
SCHEMBL27433337 0.84 ADORA3 (0.51) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL27436205 0.83 ADORA3 (0.48) ADORA3SLC29A1AHCYADORA2AADORA2B
SCHEMBL27431176 0.82 ADORA3 (0.53) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL27433636 0.82 ADORA3 (0.47) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL27430074 0.82 ADORA3 (0.51) ADORA3SLC29A1AHCYMAPK1ADORA2A
SCHEMBL27432258 0.81 ADORA3 (0.48) ADORA3SLC29A1AHCYADORA2AADORA2B

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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