SCHEMBL8464085

SCHEMBL8464085

CCCCCNc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 11/20 0.73
▸ SLC29A1 Q99808 2/20 0.68
▸ HIF1A Q16665 1/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51

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
SCHEMBL8469111 0.89 SLC29A1 (0.68) ADKSLC29A1HIF1APAX8ADORA3
SCHEMBL8461010 0.88 ADK (0.68) ADKSLC29A1
SCHEMBL8523347 0.88 SLC29A1 (0.67) ADKSLC29A1HIF1APAX8ADORA3
SCHEMBL17800832 0.85 ADK (1.00) ADKSLC29A1HIF1APAX8
SCHEMBL31617931 0.85 ADK (1.00) ADKSLC29A1HIF1APAX8
SCHEMBL6758644 0.80 SLC29A1 (0.98) SLC29A1ADORA3ADORA2AADORA1
SCHEMBL31628603 0.80 SLC29A1 (0.98) SLC29A1ADORA3ADORA2AADORA1
SCHEMBL8328951 0.80 SLC29A1 (0.98) SLC29A1ADORA3ADORA2AADORA1
SCHEMBL8327965 0.80 ADK (0.69) ADKSLC29A1ADORA3ADORA2AADORA1
SCHEMBL17816356 0.79 ADK (0.75) ADKSLC29A1HIF1APAX8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496617-B1 Adenosine kinase inhibitors METABASIS THERAPEUTICS INC (US) 1999-12-01 — — EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 — — US disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 — — WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 — — EP disclosed
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