SCHEMBL8333514

SCHEMBL8333514

NC[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 19/20 1.00
▸ HASPIN Q8TF76 1/20 0.67
▸ SLC29A1 Q99808 1/20 0.61

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
SCHEMBL8333508 1.00 ADK (1.00) ADKHASPINSLC29A1
SCHEMBL2033304 1.00 ADK (1.00) ADKHASPINSLC29A1
Iodotubercidin SCHEMBL8328935 0.91 ADK (0.83) ADKHASPINSLC29A1
Iodotubercidin SCHEMBL12652819 0.91 ADK (0.83) ADKHASPINSLC29A1
Iodotubercidin SCHEMBL16978206 0.91 ADK (0.83) ADKHASPINSLC29A1
SCHEMBL8323713 0.91 ADK (0.83) ADKHASPINSLC29A1
Iodotubercidin SCHEMBL2786488 0.91 ADK (0.83) ADKHASPINSLC29A1
Iodotubercidin SCHEMBL319225 0.91 ADK (0.83) ADKHASPINSLC29A1
Iodotubercidin SCHEMBL12505209 0.91 ADK (0.83) ADKHASPINSLC29A1
Iodotubercidin SCHEMBL13021361 0.91 ADK (0.83) ADKHASPINSLC29A1

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
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