SCHEMBL4397179

SCHEMBL4397179

CCOC(=O)Oc1cc2nc(NC(=O)OC(C)(C)C)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.38
SCN9A Q15858 1/20 0.38
BCHE P06276 1/20 0.38
HSD17B10 Q99714 1/20 0.36
MMP13 P45452 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
POLB P06746 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
ACSS2 Q9NR19 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
SCHEMBL3957033 0.83 MMP13 (0.48) LCKSCN9AHSD17B10MMP13KDM4E
SCHEMBL4072714 0.81 GSK3B (0.42) LCKSCN9AMMP13GSK3BDYRK1A
SCHEMBL21964493 0.81 LCK (0.43) LCKSCN9ABCHEGSK3BDYRK1A
SCHEMBL29510855 0.81 LCK (0.43) LCKSCN9ABCHEGSK3BDYRK1A
SCHEMBL21964304 0.79 BCHE (0.42) LCKSCN9ABCHEGSK3BDYRK1A
SCHEMBL4391943 0.76 ALDH1A1 (0.43) KDM4EPOLB
SCHEMBL4067752 0.75 HSD17B10 (0.39) HSD17B10MMP13MAPK1KDM4EPOLB
SCHEMBL21874314 0.74 SCN9A (0.37) LCKSCN9ABCHEGSK3BDYRK1A
SCHEMBL13350140 0.72 LCK (0.55) LCKBCHEHSD17B10MMP13MAPK1
SCHEMBL30317103 0.72 NPC1 (0.44) LCKSCN9ABCHEMMP13KDM4E

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
EP-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed