SCHEMBL4602908

SCHEMBL4602908

C[S+]([O-])c1nccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.56
MAPK14 Q16539 12/20 0.46
TGFBR1 P36897 3/20 0.43
MTOR P42345 1/20 0.43
CSNK1D P48730 2/20 0.42
JAK3 P52333 1/20 0.42
RIPK2 O43353 1/20 0.39
ACVR1B P36896 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL4925073 0.73 MAPK14 (0.56) MAPK14CSNK1DRIPK2MAPK13MAPK12
SCHEMBL4114563 0.72 BRAF (1.00) BRAFMAPK14CSNK1DRIPK2ACVR1B
SCHEMBL4585275 0.72 BRAF (1.00) BRAFMAPK14CSNK1DRIPK2ACVR1B
SCHEMBL8554729 0.72 MAPK13 (0.43) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL5818004 0.71 MEN1 (0.33) MAPK14TGFBR1CSNK1DJAK3
SCHEMBL5726693 0.71 MAPK14 (0.50) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL5962428 0.71 MAPK14 (0.36) MAPK14TGFBR1CSNK1DJAK3MAPK13
SCHEMBL5819549 0.70 TGFBR1 (0.55) MAPK14TGFBR1CYP3A4
SCHEMBL4108151 0.69 BRAF (0.69) BRAFMAPK14CSNK1DMAPK13MAPK12
SCHEMBL5822172 0.68 PTGS2 (0.41) MAPK14TGFBR1

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-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-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-2004024083-A2 METHODS OF BONE HEALING UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2004-03-25 WO disclosed
WO-2004019873-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2004-03-11 WO disclosed
EP-0889888-A4 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-0889888-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-13 EP disclosed
EP-0809499-A4 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORP (US) 1998-10-14 EP disclosed
EP-0809499-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997035856-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO disclosed
WO-1996021452-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1996-07-18 WO disclosed