SCHEMBL4027443

SCHEMBL4027443

CC(C)(C)OC(=O)N1CCC(C)(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.49
MAPK14 Q16539 7/20 0.46
MAPK13 O15264 5/20 0.46
MAPK12 P53778 5/20 0.46
MAPK11 Q15759 5/20 0.46
ALOX5 P09917 3/20 0.45
GCGR P47871 1/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC1 Q13547 1/20 0.45
GRIA1 P42261 1/20 0.44
TGFBR1 P36897 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
SCHEMBL4025777 0.87 BRAF (0.47) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL27450957 0.86 MAPK13 (0.50) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL4024940 0.85 MAPK14 (0.45) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL4026498 0.81 BRAF (0.54) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL4025352 0.80 CSNK1A1 (0.60) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL4584849 0.80 CSNK1A1 (0.60) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL8446904 0.77 MAPK13 (0.57) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL4028406 0.76 MAPK14 (0.59) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL14849653 0.76 MAPK11 (0.46) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4025346 0.74 MAPK14 (0.44) BRAFMAPK14MAPK13MAPK12MAPK11

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 15 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
EP-0854870-A4 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 1999-01-07 EP claimed
CN-1203590-A Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 1998-12-30 CN claimed
EP-0854870-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 1998-07-29 EP claimed
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 WO claimed
WO-1997012876-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 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-0854870-A4 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 1999-01-07 EP disclosed
CN-1203590-A Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 1998-12-30 CN disclosed
EP-0854870-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 1998-07-29 EP disclosed
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 WO disclosed
WO-1997012876-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 WO disclosed