SCHEMBL8320832

SCHEMBL8320832

O[C@@H]1[C@H](O)[C@@H](CF)O[C@H]1n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc21

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 20/20 0.85

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
SCHEMBL8332893 0.92 ADK (1.00) ADK
SCHEMBL8975714 0.90 ADK (0.85) ADK
SCHEMBL8326917 0.90 ADK (1.00) ADK
SCHEMBL8975204 0.90 ADK (1.00) ADK
SCHEMBL8975521 0.90 ADK (0.85) ADK
SCHEMBL8326827 0.90 ADK (0.85) ADK
SCHEMBL8332519 0.88 ADK (1.00) ADK
SCHEMBL8328621 0.88 ADK (1.00) ADK
SCHEMBL8330336 0.87 ADK (0.89) ADK
SCHEMBL8332710 0.86 ADK (0.88) 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 8 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
EP-0682519-A4 ADENOSINE KINASE INHIBITORS. GENSIA INC (US) 1997-12-17 — — EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 — — US disclosed
EP-0682519-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1995-11-22 — — EP disclosed
WO-1994017803-A9 ADENOSINE KINASE INHIBITORS — 1994-09-29 — — WO disclosed
WO-1994017803-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1994-08-18 — — WO 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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