SCHEMBL6999990

SCHEMBL6999990

CC(C)(C)OC(=O)Nc1ccc(CN)c(CO)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
SCN9A Q15858 1/20 0.36
CYP17A1 P05093 2/20 0.36
ATR Q13535 1/20 0.36
LCK P06239 2/20 0.35
HDAC1 Q13547 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL30387136 0.91 MAPKAPK2 (0.40) MAPKAPK2GSK3BDYRK1ASCN9ACYP17A1
SCHEMBL7002099 0.91 MAPKAPK2 (0.40) MAPKAPK2GSK3BDYRK1ASCN9ACYP17A1
SCHEMBL3888187 0.84 LCK (0.39) MAPKAPK2GSK3BDYRK1ASCN9ACYP17A1
SCHEMBL29112758 0.82 CNR2 (0.41) MAPKAPK2GSK3BDYRK1ASCN9ACYP17A1
SCHEMBL23107173 0.81 ATR (0.40) MAPKAPK2GSK3BDYRK1ASCN9ACYP17A1
SCHEMBL29604131 0.81 ATR (0.40) MAPKAPK2GSK3BDYRK1ASCN9ACYP17A1
SCHEMBL29703940 0.81 GSK3B (0.39) MAPKAPK2GSK3BDYRK1ASCN9ACYP17A1
SCHEMBL25751520 0.81 GSK3B (0.39) MAPKAPK2GSK3BDYRK1ASCN9ACYP17A1
SCHEMBL6059352 0.80 LCK (0.40) MAPKAPK2GSK3BDYRK1ASCN9ACYP17A1
SCHEMBL27731447 0.77 GSK3B (0.39) MAPKAPK2GSK3BDYRK1ASCN9ALCK

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-1069132-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed
US-6277851-B1 ORALLY ADMINISTERED TRYPSIN-RELATED SERINE PROTEASE INHIBITORS; ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-08-21 US disclosed
EP-1069132-A1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-01-17 EP disclosed