SCHEMBL3657488

SCHEMBL3657488

CN(C)CCCCOCCCNc1nc2sc(OC(N)=O)c(N)c2c(-c2cc3ccccc3o2)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.35
IKBKB O14920 1/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MKNK1 Q9BUB5 3/20 0.33
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
TLR7 Q9NYK1 2/20 0.31
UTS2R Q9UKP6 1/20 0.31
KDM4E B2RXH2 2/20 0.31
RAD52 P43351 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 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
SCHEMBL3657321 0.97 EEF2K (0.36) EEF2KIKBKBMAPK1HSD17B10MKNK1
SCHEMBL3102085 0.90 EEF2K (0.46) EEF2KIKBKBMAPK1HSD17B10MKNK1
SCHEMBL3651076 0.90 EEF2K (0.38) EEF2KIKBKBMAPK1HSD17B10MKNK1
SCHEMBL3652451 0.88 EEF2K (0.39) EEF2KIKBKBMAPK1CXCR1CXCR2
SCHEMBL3656181 0.87 EEF2K (0.40) EEF2KIKBKBMAPK1ALDH1A1
SCHEMBL3655138 0.87 EEF2K (0.40) EEF2KIKBKBMAPK1HSD17B10KDM4E
SCHEMBL3084095 0.87 EEF2K (0.46) EEF2KIKBKBMAPK1HSD17B10MKNK1
SCHEMBL3648990 0.87 EEF2K (0.38) EEF2KIKBKBKDM4EALDH1A1
SCHEMBL3652423 0.86 EEF2K (0.39) EEF2KIKBKBMAPK1CXCR1CXCR2
SCHEMBL3651201 0.86 EEF2K (0.40) EEF2KIKBKBMAPK1KDM4EALDH1A1

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