SCHEMBL3657555

SCHEMBL3657555

N#Cc1c(N)nc2sc(OC(N)=O)c(N)c2c1-c1cc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.46
BRAF P15056 2/20 0.44
IKBKB O14920 1/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
GSK3B P49841 4/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PLAU P00749 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3658212 0.88 KMT2A (0.44) EEF2KBRAFIKBKBMEN1KMT2A
SCHEMBL3652813 0.85 EEF2K (0.41) EEF2KBRAFIKBKBMEN1KMT2A
SCHEMBL3101766 0.85 EEF2K (0.62) EEF2KBRAFIKBKBMEN1KMT2A
SCHEMBL3651201 0.85 EEF2K (0.40) EEF2KBRAFIKBKBMEN1KMT2A
SCHEMBL3656993 0.85 EEF2K (0.42) EEF2KIKBKBMEN1KMT2AALDH1A1
SCHEMBL3655138 0.84 EEF2K (0.40) EEF2KBRAFIKBKBMEN1KMT2A
SCHEMBL3656598 0.84 EEF2K (0.41) EEF2KIKBKBMEN1KMT2ANPSR1
SCHEMBL3656181 0.84 EEF2K (0.40) EEF2KBRAFIKBKBMEN1KMT2A
SCHEMBL3652451 0.83 EEF2K (0.39) EEF2KBRAFIKBKBMEN1KMT2A
SCHEMBL3652423 0.83 EEF2K (0.39) EEF2KBRAFIKBKBMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197886-B1 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2012-12-26 EP claimed
EP-2197886-A1 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS Merck Patent GmbH (DE) 2010-06-23 EP claimed
WO-2009049743-A1 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2009-04-23 WO claimed
EP-2197886-B1 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2012-12-26 EP disclosed
EP-2197886-A1 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS Merck Patent GmbH (DE) 2010-06-23 EP disclosed
WO-2009049743-A1 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2009-04-23 WO disclosed