SCHEMBL4584405

SCHEMBL4584405

CNc1nccc(-c2[nH]c(C3CCN(CC(F)(F)F)CC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.54
CSNK1D P48730 1/20 0.54
RPS6KA3 P51812 1/20 0.54
BRAF P15056 6/20 0.48
MAPK14 Q16539 6/20 0.48
MAPK13 O15264 2/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
RAF1 P04049 2/20 0.46

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
SCHEMBL8585342 0.86 MAPK14 (0.61) CSNK1A1CSNK1DBRAFMAPK14MAPK13
SCHEMBL7988334 0.83 CSNK1A1 (0.69) CSNK1A1CSNK1DRPS6KA3BRAFMAPK14
SCHEMBL4587310 0.79 MAPK14 (0.61) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL4916879 0.78 MAPK14 (0.76) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL4583987 0.77 BRAF (0.53) CSNK1A1CSNK1DRPS6KA3BRAFMAPK14
SCHEMBL5770431 0.76 MAPK14 (0.53) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL4587118 0.76 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6664250 0.76 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4585639 0.75 MAPK14 (0.53) CSNK1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770752 0.75 MAPK14 (0.52) CSNK1A1CSNK1DRPS6KA3BRAFMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809499-A4 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORP (US) 1998-10-14 EP claimed
EP-0809499-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP claimed
WO-1996021452-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1996-07-18 WO claimed
EP-1539121-A4 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2008-08-13 EP disclosed
EP-1545535-A4 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC (US) 2008-06-04 EP disclosed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
EP-1545535-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
EP-1539121-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2005-06-15 EP disclosed
WO-2005032551-A1 TREATMENT OF CARDIOVASCULAR DISEASE WITH INHIBITORS OF p38 KINASE SCIOS INC. (US) 2005-04-14 WO disclosed
WO-2004019873-A9 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2004-06-24 WO disclosed
WO-2004053107-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2004-06-24 WO disclosed
WO-2004024083-A2 METHODS OF BONE HEALING UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2004-03-25 WO disclosed
WO-2004021988-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2004-03-18 WO disclosed
WO-2004019873-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2004-03-11 WO disclosed
EP-1021173-A1 USE OF CSAID?TM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2000-07-26 EP disclosed
WO-1999018942-A1 USE OF CSAIDTM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 1999-04-22 WO disclosed