SCHEMBL2851809

SCHEMBL2851809

CCNc1cc(-c2c(-c3ccc(F)cc3)nc(SC)n2C)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 1.00
MAPK13 O15264 9/20 1.00
MAPK12 P53778 9/20 1.00
MAPK11 Q15759 9/20 1.00
KCNH2 Q12809 1/20 0.74
GSK3B P49841 1/20 0.66

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
SCHEMBL2847240 0.89 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2844774 0.87 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3233958 0.87 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3231236 0.87 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2843750 0.85 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2846548 0.85 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2849082 0.84 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2844481 0.83 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2847071 0.83 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3233515 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853581-B1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-06-02 EP disclosed
EP-1853581-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2007-11-14 EP disclosed
US-7253191-B2 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2007-08-07 US disclosed
WO-2006089798-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2006-08-31 WO 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
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