SCHEMBL4028406

SCHEMBL4028406

CC(C)(C)OC(=O)N1CCCC(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.59
MAPK11 Q15759 10/20 0.59
MAPK13 O15264 8/20 0.59
MAPK12 P53778 8/20 0.59
RAF1 P04049 3/20 0.59
MAPK9 P45984 3/20 0.59
CSNK1A1 P48729 1/20 0.55
CSNK1D P48730 1/20 0.55
RPS6KA3 P51812 1/20 0.55
HPGDS O60760 1/20 0.47
ALOX5 P09917 3/20 0.46
GCGR P47871 1/20 0.46
BRAF P15056 1/20 0.45
KCNH2 Q12809 1/20 0.43

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
SCHEMBL4584849 0.90 CSNK1A1 (0.60) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4025352 0.90 CSNK1A1 (0.60) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4028673 0.87 MAPK14 (0.56) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4024247 0.87 MAPK11 (0.66) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4032460 0.87 MAPK11 (0.66) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4030967 0.86 MAPK11 (0.67) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL8601591 0.83 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4033802 0.81 CSNK1A1 (0.58) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4028779 0.81 MAPK14 (0.71) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL8604215 0.79 CSNK1A1 (0.53) MAPK14MAPK11MAPK13MAPK12RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP claimed
CN-1117082-C Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 2003-08-06 CN claimed
CN-1203590-A Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 1998-12-30 CN claimed
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 WO claimed
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP disclosed
CN-1117082-C Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 2003-08-06 CN disclosed
US-6083949-A FOR TREATING CANCER IN WHICH RAF KINASE IS IMPLICATED, AS WELL AS COMPOUNDS WHICH INHIBIT, SUPPRESS OR ANTAGONIZE THE PRODUCTION OR ACTIVITY OF CYTOKINES SUCH AS INTERLEUKINS AND TUMOR NECROSIS FACTOR MERCK & CO., INC. (US) 2000-07-04 US disclosed
EP-0934270-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-08-11 EP disclosed
CN-1203590-A Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 1998-12-30 CN disclosed
WO-1997045412-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-12-04 WO disclosed