SCHEMBL3657321

SCHEMBL3657321

CN(C)CCOCCCNc1nc2sc(OC(N)=O)c(N)c2c(-c2cc3ccccc3o2)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.36
IKBKB O14920 1/20 0.35
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
MKNK1 Q9BUB5 3/20 0.32
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
UTS2R Q9UKP6 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
RAD52 P43351 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
SCHEMBL3657488 0.97 EEF2K (0.35) EEF2KIKBKBHSD17B10MAPK1MKNK1
SCHEMBL3084095 0.90 EEF2K (0.46) EEF2KIKBKBHSD17B10MAPK1MKNK1
SCHEMBL3651076 0.90 EEF2K (0.38) EEF2KIKBKBHSD17B10MAPK1MKNK1
SCHEMBL3652451 0.89 EEF2K (0.39) EEF2KIKBKBMAPK1CXCR1CXCR2
SCHEMBL3655138 0.88 EEF2K (0.40) EEF2KIKBKBHSD17B10MAPK1MAPK8
SCHEMBL3656181 0.88 EEF2K (0.40) EEF2KIKBKBMAPK1ALDH1A1
SCHEMBL3655949 0.87 ALDH1A1 (0.34) HSD17B10MAPK8MAPK9KDM4EALDH1A1
SCHEMBL3648990 0.87 EEF2K (0.38) EEF2KIKBKBKDM4EALDH1A1
SCHEMBL3652423 0.87 EEF2K (0.39) EEF2KIKBKBMAPK1CXCR1CXCR2
SCHEMBL3651201 0.87 EEF2K (0.40) EEF2KIKBKBMAPK1MAPK8MAPK9

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 4 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