SCHEMBL4029509

SCHEMBL4029509

CC(C)(C)OC(=O)N1CCC(Cc2ccccc2)CC1c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
RPS6KA3 P51812 1/20 0.43
MAPK14 Q16539 14/20 0.43
MAPK13 O15264 9/20 0.43
MAPK12 P53778 9/20 0.43
MAPK11 Q15759 9/20 0.43
RAF1 P04049 3/20 0.42
MAPK9 P45984 3/20 0.42
GCGR P47871 2/20 0.42
GSK3B P49841 3/20 0.41
GSK3A P49840 2/20 0.41
ALOX5 P09917 2/20 0.41
BRAF P15056 1/20 0.39

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
SCHEMBL4028230 0.89 MAPK14 (0.48) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL8604215 0.86 CSNK1A1 (0.53) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL8601591 0.83 MAPK14 (0.55) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL4584849 0.76 CSNK1A1 (0.60) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL4025352 0.76 CSNK1A1 (0.60) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL28152166 0.75 OPRD1 (0.48)
SCHEMBL4028406 0.74 MAPK14 (0.59) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL4024940 0.72 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7748911 0.72 MAPK14 (0.54) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL8603194 0.72 MAPK11 (0.61) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13

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 18 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-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP 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-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 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
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP 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
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 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
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO disclosed