SCHEMBL7106007

SCHEMBL7106007

Cc1ncnc2c1c(C#N)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.68
PAX8 Q06710 2/20 0.68
ADK P55263 6/20 0.61
DOT1L Q8TEK3 4/20 0.61
SLC29A1 Q99808 1/20 0.55
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 1/20 0.53
GALR3 O60755 1/20 0.53
S1PR4 O95977 1/20 0.53
MAPT P10636 1/20 0.53
S1PR1 P21453 1/20 0.53
RAB9A P51151 1/20 0.53
CYP1A2 P05177 1/20 0.53
STAT6 P42226 1/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 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
SCHEMBL17816355 0.89 ADK (0.77) HIF1APAX8ADKDOT1LSLC29A1
SCHEMBL17800866 0.89 ADK (0.77) HIF1APAX8ADKDOT1LSLC29A1
Toyocamycin SCHEMBL17395285 0.87 ADK (0.80) HIF1APAX8ADKDOT1LSLC29A1
Toyocamycin SCHEMBL6674952 0.87 ADK (0.80) HIF1APAX8ADKDOT1LSLC29A1
Toyocamycin SCHEMBL2786620 0.87 ADK (0.80) HIF1APAX8ADKDOT1LSLC29A1
Toyocamycin SCHEMBL13064386 0.87 ADK (0.80) HIF1APAX8ADKDOT1LSLC29A1
Toyocamycin SCHEMBL20438004 0.87 ADK (0.80) HIF1APAX8ADKDOT1LSLC29A1
Toyocamycin SCHEMBL14642992 0.87 ADK (0.80) HIF1APAX8ADKDOT1LSLC29A1
Toyocamycin SCHEMBL14642728 0.87 ADK (0.80) HIF1APAX8ADKDOT1LSLC29A1
Toyocamycin SCHEMBL336095 0.87 ADK (0.80) HIF1APAX8ADKDOT1LSLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003061576-A2 DEAZAPURINE NUCLEOSIDE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS RIBAPHARM INC. (US) 2003-07-31 WO disclosed