SCHEMBL7183072

SCHEMBL7183072

OC[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCCCCCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.88
ADORA1 P30542 6/20 0.80
ADORA3 P0DMS8 3/20 0.80
ADORA2A P29274 3/20 0.80
TSHR P16473 2/20 0.74
NFKB1 P19838 1/20 0.74
THPO P40225 1/20 0.74
LMNA P02545 1/20 0.74
TP53 P04637 1/20 0.74
ALOX15 P16050 1/20 0.74
HTT P42858 1/20 0.74
RXFP1 Q9HBX9 1/20 0.74

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
SCHEMBL8180763 1.00 SLC29A1 (0.88) SLC29A1ADORA1ADORA3ADORA2ATSHR
SCHEMBL20579790 0.96 SLC29A1 (0.85) SLC29A1ADORA1ADORA3ADORA2ATSHR
SCHEMBL8328951 0.95 SLC29A1 (0.98) SLC29A1ADORA1ADORA3ADORA2ATSHR
SCHEMBL10886676 0.95 SLC29A1 (0.80) SLC29A1ADORA1ADORA3ADORA2ATSHR
SCHEMBL31628603 0.95 SLC29A1 (0.98) SLC29A1ADORA1ADORA3ADORA2ATSHR
SCHEMBL6758644 0.95 SLC29A1 (0.98) SLC29A1ADORA1ADORA3ADORA2ATSHR
SCHEMBL5675415 0.95 SLC29A1 (0.80) SLC29A1ADORA1ADORA3ADORA2ATSHR
SCHEMBL5675424 0.95 SLC29A1 (0.80) SLC29A1ADORA1ADORA3ADORA2ATSHR
SCHEMBL6762621 0.94 SLC29A1 (0.83) SLC29A1ADORA1ADORA3ADORA2ATSHR
SCHEMBL20705944 0.93 SLC29A1 (0.80) SLC29A1ADORA1ADORA3ADORA2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030125298-A1 Cancer therapy comprising deaminase enzyme inhibitors CTRE DE RECHERCHE INDUST. DU QUEBEC (CA) 2003-07-03 US disclosed
US-6579857-B1 Combination cancer therapy comprising adenosine and deaminase enzyme inhibitors EVANSTON NORTHWESTERN HEALTHCARE RESEARCH INSTITUTE 2003-06-17 US disclosed
WO-2000076524-A1 COMBINATION CANCER THERAPY COMPRISING ADENOSINE AND DEAMINASE ENZYME INHIBITOR EVANSTON NORTHWESTERN HEALTHCARE RESEARCH INSTITUTE (US) 2000-12-21 WO disclosed
EP-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 US disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 WO disclosed