SCHEMBL8328911

SCHEMBL8328911

OC[C@@H]1O[C@@H](n2nc(Br)c3c(NCc4ccncc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 5/20 0.61
▸ ADORA3 P0DMS8 2/20 0.52
▸ SLC29A1 Q99808 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ SIGMAR1 Q99720 3/20 0.52
▸ HTR2B P41595 2/20 0.52
▸ ADRA2C P18825 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ HTR6 P50406 1/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.52
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ SLC28A2 O43868 1/20 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
SCHEMBL8328912 1.00 ADK (0.61) ADKADORA3SLC29A1TP53TDP1
SCHEMBL8975011 0.89 ADORA3 (0.66) ADKADORA3SLC29A1TP53TDP1
SCHEMBL8975466 0.89 ADK (0.61) ADKADORA3SLC29A1TP53TDP1
SCHEMBL8975239 0.85 ADK (0.71) ADKADORA3SLC29A1TP53TDP1
SCHEMBL8332277 0.85 ADK (0.59) ADKADORA3SLC29A1TP53TDP1
SCHEMBL8332286 0.85 ADK (0.59) ADKADORA3SLC29A1TP53TDP1
SCHEMBL8327965 0.79 ADK (0.69) ADKADORA3SLC29A1TP53TDP1
SCHEMBL8975362 0.78 ADORA3 (0.66) ADKADORA3SLC29A1TP53TDP1
SCHEMBL8331212 0.77 ADK (0.71) ADKADORA3SLC29A1TP53TDP1
SCHEMBL8975520 0.76 ADK (0.75) 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 3 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
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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