SCHEMBL5639416

SCHEMBL5639416

CCCn1c(SCc2ccc(C)cc2)nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.69
MAPK13 O15264 8/20 0.69
MAPK12 P53778 8/20 0.69
MAPK11 Q15759 8/20 0.69
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
GCGR P47871 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM1A O60341 1/20 0.45
IDO1 P14902 1/20 0.45

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
SCHEMBL5639954 0.91 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL5637592 0.91 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL5638390 0.90 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL5637540 0.87 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL5641650 0.87 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL5637234 0.82 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5638394 0.80 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5640777 0.79 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL5641653 0.79 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5641063 0.78 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253191-B2 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2007-08-07 US 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
US-20040116416-A1 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2004-06-17 US disclosed