SCHEMBL6171002

SCHEMBL6171002

Fc1ccc(-c2nc(S)n(C3CCN(Cc4ccccc4)CC3)c2-c2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.51
DRD2 P14416 4/20 0.48
DRD4 P21917 4/20 0.48
DRD3 P35462 4/20 0.48
AKT1 P31749 2/20 0.45
AKT2 P31751 2/20 0.45
AKT3 Q9Y243 2/20 0.45
EGFR P00533 1/20 0.44
ALOX5 P09917 1/20 0.43
MAPK13 O15264 3/20 0.42
MAPK12 P53778 3/20 0.42
MAPK11 Q15759 3/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5642209 0.85 MAPK14 (0.59) MAPK14DRD2DRD4DRD3AKT1
SCHEMBL5642212 0.85 MAPK14 (0.59) MAPK14DRD2DRD4DRD3AKT1
SCHEMBL6584791 0.84 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6585969 0.81 MAPK14 (0.51) MAPK14EGFRMAPK13MAPK12MAPK11
SCHEMBL4917883 0.80 MAPK14 (0.71) MAPK14EGFRMAPK13MAPK12MAPK11
SCHEMBL6169935 0.78 MAPK14 (0.51) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL5098347 0.77 DRD2 (0.56) MAPK14DRD2DRD4DRD3ALOX5
SCHEMBL5850265 0.76 MAPK14 (0.51) MAPK14DRD2DRD4DRD3MAPK13
SCHEMBL8420006 0.76 MAPK14 (0.58) MAPK14DRD2DRD4DRD3AKT1
SCHEMBL1387891 0.73 MAPK14 (0.64) MAPK14DRD2DRD4DRD3AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506187-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-02-16 EP disclosed
EP-1362045-B1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2004-11-17 EP disclosed
WO-2003097633-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2003-11-27 WO disclosed
EP-1362045-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2003-11-19 EP disclosed
WO-2002066458-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2002-08-29 WO disclosed