SCHEMBL22855175

SCHEMBL22855175

C#CC1(CO)CCC(n2cnc3c(N)nc(F)nc32)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.47
LMNA P02545 2/20 0.47
NT5E P21589 2/20 0.47
HIF1A Q16665 1/20 0.47
CHKA P35790 3/20 0.40
ADORA3 P0DMS8 4/20 0.39
CA5A P35218 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
PNP P00491 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
DNMT1 P26358 1/20 0.38
DNMT3B Q9UBC3 1/20 0.38
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL2520516 1.00 AHCY (0.47) AHCYLMNANT5EHIF1ACHKA
SCHEMBL2520562 0.90 AHCY (0.47) AHCYLMNANT5EHIF1ACHKA
SCHEMBL25659855 0.90 AHCY (0.45) AHCYLMNANT5EHIF1ACHKA
SCHEMBL25867818 0.88 PNP (0.39) LMNAADORA3ADORA2AADORA2BADORA1
SCHEMBL2524440 0.88 PDE4D (0.53) LMNANT5EADORA3ADORA2AADORA1
SCHEMBL21709764 0.88 AHCY (0.34) AHCYLMNANT5EHIF1ACHKA
SCHEMBL12214180 0.85 AHCY (0.41) AHCYLMNANT5EHIF1ACHKA
SCHEMBL13581562 0.85 AHCY (0.42) AHCYLMNANT5EHIF1ACHKA
SCHEMBL29790376 0.84 AHCY (0.41) AHCYLMNANT5EHIF1ACHKA
SCHEMBL21709653 0.83 AHCY (0.40) AHCYLMNANT5EHIF1ACHKA

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
WO-2021050961-A1 ANTIVIRAL PRODRUGS AND FORMULATIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-18 WO disclosed
WO-2021021717-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BRII BIOSCIENCES, INC. (US) 2021-02-04 WO disclosed
WO-2020263660-A1 PROCESS FOR THE PREPARATION OF 2-FLUOROADENINE MERCK SHARP & DOHME CORP. (US) 2020-12-30 WO disclosed