SCHEMBL13494177

SCHEMBL13494177

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.34
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34
▸ PRKAG2 Q9UGJ0 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL1738426 0.83 XDH (0.35) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19025097 0.83 XDH (0.35) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4013424 0.83 XDH (0.32) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13494172 0.81 ADK (0.30) —
SCHEMBL4013900 0.79 ALDH1A1 (0.33) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4020234 0.79 ABL1 (0.36) —
SCHEMBL13494110 0.79 ADK (0.38) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13494103 0.78 ADK (0.34) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16497062 0.77 ADK (0.41) XDHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1737262 0.77 XDH (0.39) XDHPRKAB2PRKAG1PRKAA2PRKAA1

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
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