SCHEMBL8327965

SCHEMBL8327965

OC[C@H]1O[C@@H](n2cc(I)c3c(NCc4ccncc4)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 4/20 0.69
▸ HTR2B P41595 4/20 0.64
▸ SIGMAR1 Q99720 3/20 0.64
▸ ADRA2C P18825 1/20 0.64
▸ OPRK1 P41145 1/20 0.64
▸ HTR6 P50406 1/20 0.64
▸ TMEM97 Q5BJF2 1/20 0.64
▸ SLC29A1 Q99808 3/20 0.61
▸ ADORA3 P0DMS8 3/20 0.57
▸ TP53 P04637 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ ADORA2A P29274 2/20 0.55
▸ ADORA1 P30542 2/20 0.55
▸ ADORA2B P29275 1/20 0.54

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
SCHEMBL8975497 0.89 ADORA3 (0.71) ADKHTR2BSIGMAR1ADRA2COPRK1
SCHEMBL8331212 0.86 ADK (0.71) ADKHTR2BSIGMAR1ADRA2COPRK1
SCHEMBL6236072 0.85 ADK (0.69) ADKHTR2BSIGMAR1ADRA2COPRK1
SCHEMBL8331350 0.85 ADK (0.69) ADKHTR2BSIGMAR1ADRA2COPRK1
SCHEMBL8975466 0.85 ADK (0.61) ADKHTR2BSIGMAR1ADRA2COPRK1
SCHEMBL31617931 0.82 ADK (1.00) ADKSLC29A1TP53
SCHEMBL17800832 0.82 ADK (1.00) ADKSLC29A1TP53
SCHEMBL8464085 0.80 ADK (0.73) ADKSLC29A1ADORA3ADORA2AADORA1
SCHEMBL7070066 0.80 ADK (0.79) ADKHTR2BSIGMAR1ADRA2COPRK1
SCHEMBL8332497 0.80 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
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