SCHEMBL8164012

SCHEMBL8164012

Nc1nc2c(ncn2C2O[C@H](CO)[C@@H](F)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
HINT1 P49773 4/20 0.59
NT5E P21589 2/20 0.59
GSK3A P49840 2/20 0.56
RPS6KA3 P51812 2/20 0.56
MAPK14 Q16539 2/20 0.56
PNP P00491 2/20 0.56
TGM2 P21980 1/20 0.55
STING1 Q86WV6 2/20 0.54
PDE3A Q14432 2/20 0.54
PDE3B Q13370 1/20 0.54
LMNA P02545 1/20 0.53
HIF1A Q16665 1/20 0.53
PAX8 Q06710 1/20 0.53
PDE2A O00408 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
ADRA1A P35348 1/20 0.53
PDE4D Q08499 1/20 0.53

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
SCHEMBL1737326 1.00 HPGD (0.62) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL1737325 1.00 HPGD (0.62) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL6748870 1.00 HPGD (0.62) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL1737322 1.00 HPGD (0.62) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL20434874 1.00 HPGD (0.62) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL25381419 1.00 HPGD (0.62) HPGDHINT1NT5EGSK3ARPS6KA3
F-Arag SCHEMBL35286 0.92 PDE2A (0.64) HPGDHINT1NT5EGSK3ARPS6KA3
F-Arag SCHEMBL20581034 0.92 PDE2A (0.64) HPGDHINT1NT5EGSK3ARPS6KA3
F-Arag SCHEMBL21625251 0.92 PDE2A (0.64) HPGDHINT1NT5EGSK3ARPS6KA3
F-Arag SCHEMBL16656455 0.92 PDE2A (0.64) HPGDHINT1NT5EGSK3ARPS6KA3

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-2399588-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-12-28 EP disclosed
EP-2360166-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
US-6110901-A 3'-DEOXYRIBOCYTOSINE, 3'-DEOXYRIBOURACIL, AND/OR 3'-DEOXYRIBOGUANINE AMERICAN CYANAMID COMPANY (US) 2000-08-29 US disclosed