SCHEMBL8323046

SCHEMBL8323046

C[C@H]1O[C@@H](n2cc(I)c3c(=S)[nH]cnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 20/20 0.69

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
5-Iodo,5'-Deoxytubercidin SCHEMBL6236636 0.81 ADK (1.00) ADK
5-Iodo,5'-Deoxytubercidin SCHEMBL8331903 0.81 ADK (1.00) ADK
SCHEMBL8321626 0.79 ADK (0.76) ADK
SCHEMBL6678245 0.78 ADK (1.00) ADK
SCHEMBL8330319 0.78 ADK (1.00) ADK
SCHEMBL8975073 0.71 ADK (1.00) ADK
SCHEMBL8324503 0.71 ADK (0.71) ADK
SCHEMBL6682434 0.70 ADK (0.59) ADK
SCHEMBL8461010 0.70 ADK (0.68) ADK
SCHEMBL6678724 0.70 ADK (0.83) ADK

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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