SCHEMBL13494110

SCHEMBL13494110

CC(=O)OC[C@H]1O[C@@H](n2cc(N)c3c(N)ncnc32)[C@](C)(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 11/20 0.38
▸ XDH P47989 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ATG7 O95352 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33

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
SCHEMBL16497062 0.91 ADK (0.41) ADKXDHADORA2AATG7ALDH1A1
SCHEMBL16496534 0.90 ADK (0.36) ADKXDHADORA2AATG7ALDH1A1
SCHEMBL14081712 0.88 ADK (0.35) ADKXDHADORA2AATG7ALDH1A1
SCHEMBL4014575 0.88 ADK (0.35) ADKXDHADORA2AATG7ALDH1A1
SCHEMBL13494103 0.87 ADK (0.34) ADKXDHATG7PRKAB2PRKAG1
SCHEMBL4020234 0.85 ABL1 (0.36) ADKABL1EGFRSRC
SCHEMBL13725076 0.84 LMNA (0.33) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL4016824 0.84 PRMT5 (0.45) ADK
SCHEMBL14081718 0.84 PRMT5 (0.45) ADK
SCHEMBL16496977 0.84 RET (0.36) ADKSRC

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-2010015637-A1 NEW ANTIVIRAL MODIFIED NUCLEOSIDES NOVARTIS AG (CH) 2010-02-11 — — WO disclosed
Send feedback