SCHEMBL8312008

SCHEMBL8312008

O=C(c1ccccc1)c1nc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.61
MAPK13 O15264 15/20 0.61
MAPK12 P53778 15/20 0.61
MAPK11 Q15759 15/20 0.61
RAF1 P04049 9/20 0.61
GCGR P47871 9/20 0.60
BRAF P15056 2/20 0.49
MAPK9 P45984 1/20 0.48

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
SCHEMBL7989925 0.85 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL30647527 0.84 PIN1 (0.54) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8311915 0.79 MLKL (0.44) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7992089 0.78 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8311911 0.78 GCGR (0.49) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5921859 0.76 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6469111 0.76 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7995659 0.76 GCGR (0.54) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL28574062 0.74 ERCC1 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6471005 0.72 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1

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-0948257-A4 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 1999-12-29 EP claimed
EP-0948257-A1 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1999-10-13 EP claimed
US-5955480-A GLUCAGON RECEPTOR ANTAGONISTS, CYTOKINE INHIBITORS MERCK & CO., INC. (US) 1999-09-21 US claimed
WO-1998021957-A1 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1998-05-28 WO claimed
EP-0948257-A4 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 1999-12-29 EP disclosed
EP-0948257-A1 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1999-10-13 EP disclosed
US-5955480-A GLUCAGON RECEPTOR ANTAGONISTS, CYTOKINE INHIBITORS MERCK & CO., INC. (US) 1999-09-21 US disclosed
WO-1998021957-A1 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1998-05-28 WO disclosed