SCHEMBL8323138

SCHEMBL8323138

COc1cccc(-c2nn([C@@H]3O[C@H](C)[C@@H](O)[C@H]3O)c3ncnc(Nc4ncc[nH]4)c23)c1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 19/20 0.49

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
SCHEMBL8327586 0.90 ADK (0.51) ADK
SCHEMBL8328170 0.88 ADK (0.54) ADK
SCHEMBL8326485 0.88 ADK (0.62) ADK
SCHEMBL8896057 0.86 ADK (0.51) ADK
SCHEMBL8321960 0.81 ADK (0.49) ADK
SCHEMBL8975287 0.80 ADK (0.70) ADK
SCHEMBL6679016 0.80 ADK (0.70) ADK
SCHEMBL8324600 0.78 ADK (0.65) ADK
SCHEMBL8607934 0.78 ADK (0.65) ADK
SCHEMBL8607927 0.78 ADK (0.65) 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 7 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
Send feedback