SCHEMBL8331350

SCHEMBL8331350

OC[C@H]1O[C@@H](n2cc(I)c3c(NCc4ccccn4)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 9/20 0.69
▸ HTR2B P41595 5/20 0.59
▸ SIGMAR1 Q99720 4/20 0.59
▸ TMEM97 Q5BJF2 2/20 0.59
▸ ADRA2C P18825 1/20 0.59
▸ OPRK1 P41145 1/20 0.59
▸ HTR6 P50406 1/20 0.59
▸ SLC29A1 Q99808 2/20 0.59
▸ HTR1D P28221 1/20 0.56
▸ ADORA3 P0DMS8 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ PAX8 Q06710 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA2B P29275 1/20 0.51
▸ ADORA1 P30542 1/20 0.51

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
SCHEMBL6236072 1.00 ADK (0.69) ADKHTR2BSIGMAR1TMEM97ADRA2C
SCHEMBL8333496 0.88 ADK (0.71) ADKHTR2BSIGMAR1TMEM97ADRA2C
Hydrochloric Acid SCHEMBL6234279 0.87 ADK (0.77) ADK
SCHEMBL8327965 0.85 ADK (0.69) ADKHTR2BSIGMAR1TMEM97ADRA2C
SCHEMBL8975497 0.84 ADORA3 (0.71) ADKHTR2BSIGMAR1TMEM97ADRA2C
SCHEMBL6765375 0.82 ADORA3 (0.77) SLC29A1ADORA3TP53TDP1PAX8
SCHEMBL8975040 0.82 ADK (1.00) ADKSLC29A1
SCHEMBL8332497 0.82 ADK (1.00) ADKSLC29A1
SCHEMBL31617931 0.80 ADK (1.00) ADKSLC29A1TP53PAX8
SCHEMBL17800832 0.80 ADK (1.00) ADKSLC29A1TP53PAX8

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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