SCHEMBL8328918

SCHEMBL8328918

C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccc(C#N)cc4)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 20/20 1.00

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
SCHEMBL8328913 1.00 ADK (1.00) ADK
SCHEMBL6684942 0.91 ADK (1.00) ADK
SCHEMBL19639134 0.91 ADK (1.00) ADK
SCHEMBL8331187 0.91 ADK (1.00) ADK
SCHEMBL13369885 0.91 ADK (1.00) ADK
SCHEMBL8608954 0.91 ADK (1.00) ADK
SCHEMBL8330391 0.90 ADK (1.00) ADK
SCHEMBL8330388 0.90 ADK (1.00) ADK
SCHEMBL8329618 0.89 ADK (0.83) ADK
SCHEMBL8603413 0.88 ADK (1.00) 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-0684953-A4 ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES. GENSIA INC (US) 1999-12-22 — — EP disclosed
US-5506347-A ADENOSINE KINASE INHIBITOR GENSIA, INC. (US) 1996-04-09 — — US disclosed
EP-0684953-A1 ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES GENSIA, INC. (US) 1995-12-06 — — EP disclosed
WO-1994018215-A1 ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES GENSIA, INC. (US) 1994-08-18 — — WO disclosed
Send feedback