SCHEMBL8523347

SCHEMBL8523347

CCCCCNc1ncnc2c1c(CCCCC)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.67
▸ ADK P55263 2/20 0.56
▸ ADORA1 P30542 3/20 0.55
▸ ADORA3 P0DMS8 2/20 0.55
▸ ADORA2A P29274 2/20 0.55
▸ HIF1A Q16665 1/20 0.53
▸ PAX8 Q06710 1/20 0.53
▸ HTR2B P41595 3/20 0.50
▸ SIGMAR1 Q99720 3/20 0.50
▸ TMEM97 Q5BJF2 2/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ HTR1D P28221 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
SCHEMBL8523300 0.89 ADK (0.61) SLC29A1ADK
SCHEMBL8464085 0.88 ADK (0.73) SLC29A1ADKADORA1ADORA3ADORA2A
SCHEMBL8469111 0.88 SLC29A1 (0.68) SLC29A1ADKADORA1ADORA3ADORA2A
SCHEMBL6758644 0.80 SLC29A1 (0.98) SLC29A1ADORA1ADORA3ADORA2A
SCHEMBL31628603 0.80 SLC29A1 (0.98) SLC29A1ADORA1ADORA3ADORA2A
SCHEMBL8328951 0.80 SLC29A1 (0.98) SLC29A1ADORA1ADORA3ADORA2A
SCHEMBL25048779 0.79 ADK (0.75) SLC29A1ADKHIF1APAX8
SCHEMBL8523567 0.77 SLC29A1 (0.66) SLC29A1ADORA1ADORA3ADORA2A
SCHEMBL8461010 0.76 ADK (0.68) SLC29A1ADK
SCHEMBL8466994 0.76 ADK (0.62) SLC29A1ADK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496617-B1 Adenosine kinase inhibitors METABASIS THERAPEUTICS INC (US) 1999-12-01 — — EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 — — US disclosed
WO-1994017803-A9 ADENOSINE KINASE INHIBITORS — 1994-09-29 — — WO disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 — — WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 — — EP disclosed
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