SCHEMBL5639378

SCHEMBL5639378

CCCn1c(SC=Cc2ccccc2)nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.67
MAPK13 O15264 8/20 0.67
MAPK12 P53778 8/20 0.67
MAPK11 Q15759 8/20 0.67
GCGR P47871 2/20 0.41
MAPK10 P53779 4/20 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
SCHEMBL5641805 0.86 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5641063 0.83 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5637234 0.81 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5637592 0.81 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5638636 0.79 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL5640033 0.78 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5639433 0.77 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5640028 0.76 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5641044 0.75 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5638394 0.74 MAPK14 (0.74) 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