SCHEMBL13425632

SCHEMBL13425632

Cc1cc(C#N)ccc1-c1ccnc(NCc2cc(-c3ccc(C(=O)N(C)C)o3)[nH]n2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.49
MAPK1 P28482 1/20 0.37
MAPKAPK2 P49137 6/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
FASN P49327 1/20 0.34

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
SCHEMBL13426216 0.92 KCNH2 (0.48) KCNH2MAPK1MAPKAPK2EGLN1GSK3A
SCHEMBL13425784 0.91 KCNH2 (0.52) KCNH2MAPK1GSK3AGSK3BHRH2
SCHEMBL13425751 0.90 KCNH2 (0.51) KCNH2MAPK1MAPKAPK2GSK3AGSK3B
SCHEMBL13425597 0.90 KCNH2 (0.50) KCNH2MAPK1EGLN1GSK3AGSK3B
SCHEMBL13425609 0.88 KCNH2 (0.49) KCNH2MAPK1HRH2HRH1DYRK1A
SCHEMBL3399224 0.87 KCNH2 (0.47) KCNH2MAPK1MAPKAPK2EGLN1HRH2
SCHEMBL13426311 0.86 KCNH2 (0.47) KCNH2EGLN1FASN
SCHEMBL3399662 0.86 KCNH2 (0.51) KCNH2MAPK1EGLN1CLK4
SCHEMBL13425790 0.85 KCNH2 (0.56) KCNH2MAPK1HRH2HRH1DYRK1A
SCHEMBL13426244 0.85 KCNH2 (0.50) KCNH2MAPK1MAPKAPK2GSK3AGSK3B

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed