SCHEMBL3654142

SCHEMBL3654142

CCS(=O)(=O)N1CCN(c2nc3sc(OC(N)=O)c(N)c3c(-c3cc(C)c(C)o3)c2C#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.39
KMT2A Q03164 7/20 0.37
POLB P06746 3/20 0.33
KDM4E B2RXH2 9/20 0.33
ALDH1A1 P00352 9/20 0.33
MEN1 O00255 6/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 7/20 0.32
HPGD P15428 5/20 0.32
MAPK1 P28482 5/20 0.32
HSD17B10 Q99714 4/20 0.32
GAA P10253 2/20 0.32
GLA P06280 2/20 0.32
HSP90AB1 P08238 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
USP2 O75604 2/20 0.32
PKM P14618 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31

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
SCHEMBL3081937 0.89 EEF2K (0.51) EEF2KKMT2AKDM4EALDH1A1MEN1
SCHEMBL3650384 0.88 ALDH1A1 (0.38) EEF2KKMT2AKDM4EALDH1A1MEN1
SCHEMBL14312146 0.87 EEF2K (0.40) EEF2KKMT2AKDM4EALDH1A1MEN1
SCHEMBL3655704 0.82 BRAF (0.45) EEF2KKMT2AKDM4EALDH1A1MEN1
SCHEMBL3656598 0.78 EEF2K (0.41) EEF2KKMT2APOLBKDM4EALDH1A1
SCHEMBL3088342 0.77 ALDH1A1 (0.51) EEF2KKMT2AKDM4EALDH1A1MEN1
SCHEMBL3648627 0.77 EEF2K (0.39) EEF2KHSP90AB1BRAFIKBKB
SCHEMBL3089430 0.76 EEF2K (0.51) EEF2KKMT2AKDM4EALDH1A1MEN1
SCHEMBL3650794 0.76 EEF2K (0.39) EEF2KKMT2AKDM4EALDH1A1MEN1
SCHEMBL3650817 0.76 KDM4E (0.40) EEF2KKDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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