SCHEMBL29936666

SCHEMBL29936666

COC[C@H]1O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.78
RNASEL Q05823 4/20 0.65
ADORA2A P29274 3/20 0.64
ADORA2B P29275 2/20 0.64
DNMT1 P26358 1/20 0.60
DNMT3B Q9UBC3 1/20 0.60
ADORA1 P30542 1/20 0.60
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA9 Q16790 1/20 0.59
CA5A P35218 1/20 0.58
LMNA P02545 1/20 0.58
NT5E P21589 1/20 0.58
HIF1A Q16665 1/20 0.58
HINT1 P49773 1/20 0.58

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
SCHEMBL8622533 1.00 ADORA3 (0.78) ADORA3RNASELADORA2AADORA2BDNMT1
SCHEMBL4454099 0.90 ADORA3 (0.80) ADORA3ADORA2AADORA2BADORA1CA1
SCHEMBL1938203 0.90 ADORA3 (0.80) ADORA3ADORA2AADORA2BADORA1CA1
SCHEMBL12443734 0.90 ADORA3 (0.80) ADORA3ADORA2AADORA2BADORA1CA1
SCHEMBL13524754 0.88 ADORA3 (0.77) ADORA3ADORA2AADORA2BDNMT1DNMT3B
SCHEMBL4457018 0.88 ADORA3 (0.77) ADORA3ADORA2AADORA2BDNMT1DNMT3B
SCHEMBL4451649 0.88 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1CA1
SCHEMBL4451640 0.88 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1CA1
SCHEMBL4457021 0.88 ADORA3 (0.77) ADORA3ADORA2AADORA2BDNMT1DNMT3B
SCHEMBL10459402 0.88 ADORA3 (0.77) ADORA3ADORA2AADORA2BDNMT1ADORA1

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
EP-3212201-B1 NUCLEOSIDE KINASE INHIBITORS BCI PHARMA (FR) 2022-10-19 EP claimed