SCHEMBL8332145

SCHEMBL8332145

O[C@@H]1[C@H](O)[C@H](n2cc(Br)c3c(Cl)ncnc32)O[C@@H]1CCl

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADK P55263 15/20 0.72
SLC29A1 Q99808 1/20 0.61
DOT1L Q8TEK3 2/20 0.48
PRMT5 O14744 1/20 0.48
PRMT3 O60678 1/20 0.48
DNMT1 P26358 1/20 0.48
NNMT P40261 1/20 0.48
METTL3 Q86U44 2/20 0.48

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
SCHEMBL8331463 0.91 ADK (0.75) ADKSLC29A1DOT1L
SCHEMBL23273898 0.91 ADK (0.75) ADKSLC29A1DOT1L
SCHEMBL8975829 0.88 ADK (0.69) ADKSLC29A1DOT1LPRMT5PRMT3
SCHEMBL8331593 0.87 ADK (0.81) ADKDOT1LPRMT5PRMT3DNMT1
SCHEMBL8330487 0.86 ADK (0.77) ADKSLC29A1PRMT5METTL3
SCHEMBL8330489 0.86 ADK (0.77) ADKSLC29A1PRMT5METTL3
SCHEMBL8332340 0.86 ADK (0.83) ADKSLC29A1
SCHEMBL8332793 0.86 ADK (0.83) ADKSLC29A1
SCHEMBL24293656 0.85 ADK (0.64) ADKSLC29A1DOT1LPRMT5PRMT3
SCHEMBL8325888 0.83 ADK (1.00) ADKSLC29A1

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