SCHEMBL5962480

SCHEMBL5962480

NC1(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.56
MAPK12 P53778 11/20 0.56
MAPK11 Q15759 11/20 0.56
MAPK14 Q16539 11/20 0.56
MAPK9 P45984 3/20 0.56
RAF1 P04049 2/20 0.56
GCGR P47871 9/20 0.56
PRKD3 O94806 2/20 0.56
MAP4K4 O95819 2/20 0.56
FRK P42685 2/20 0.56
CSNK1A1 P48729 2/20 0.56
CSNK1D P48730 2/20 0.56
GSK3B P49841 2/20 0.56
PTK6 Q13882 2/20 0.56
CLK4 Q9HAZ1 2/20 0.56
PRKD2 Q9BZL6 1/20 0.56
ALOX5 P09917 4/20 0.53
BRAF P15056 2/20 0.51
KDM4E B2RXH2 1/20 0.50
CIT O14578 1/20 0.50

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
SCHEMBL6600561 0.85 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5962371 0.78 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL8446904 0.77 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL7854909 0.75 MAPK14 (0.52) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL4026498 0.75 BRAF (0.54) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL6585626 0.74 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL6600321 0.74 MAPK11 (0.60) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL14521876 0.73 MAPK14 (0.53) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL6584089 0.73 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL19868925 0.72 MAPK11 (1.00) MAPK13MAPK12MAPK11MAPK14MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026336-B1 4-pyridinylimidazol-2-ylhydrocarbyl amine, (thio)urea, carbamic acid or sulfonamide derivatives, e.g., (2-(4-(4-Chloro-3-methoxy-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl)-2-methyl-propyl)-carbamic acid tert-butyl ester; Raf kinase inhibitors for the treatment of neurotraumatic diseases SMITHKLINE BEECHAM P.L.C. (GB) 2006-04-11 US claimed
EP-1396491-A2 2-substituted 4,5-diaryl-imidazoles and their use as p38 MAP kinase inhibitors Novartis AG (CH) 2004-03-10 EP claimed
EP-1232153-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-08-21 EP claimed
WO-2001038324-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-31 WO claimed
CN-1261885-A 2-substituted 4, 5-diarylimidazoles NOVARTIS AG (CH) 2000-08-02 CN claimed
EP-0993456-A1 2-SUBSTITUTED 4,5-DIARYL IMIDAZOLES Novartis AG (CH) 2000-04-19 EP claimed
WO-1999001449-A1 2-SUBSTITUTED 4,5-DIARYL IMIDAZOLES NOVARTIS AG (CH) 1999-01-14 WO claimed
US-7026336-B1 4-pyridinylimidazol-2-ylhydrocarbyl amine, (thio)urea, carbamic acid or sulfonamide derivatives, e.g., (2-(4-(4-Chloro-3-methoxy-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl)-2-methyl-propyl)-carbamic acid tert-butyl ester; Raf kinase inhibitors for the treatment of neurotraumatic diseases SMITHKLINE BEECHAM P.L.C. (GB) 2006-04-11 US disclosed
EP-1232153-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-11-03 EP disclosed
EP-1396491-A2 2-substituted 4,5-diaryl-imidazoles and their use as p38 MAP kinase inhibitors Novartis AG (CH) 2004-03-10 EP disclosed
EP-1232153-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-08-21 EP disclosed
US-6300347-B1 FOR THERAPY OF TUMOR NECROSIS FACTOR AND INTERLEUKIN-1 MEDIATED DISEASES SUCH AS RHEUMATOID ARTHRITIS AND DISEASES OF BONE METABOLISM, E.G. OSTEOPOROSIS NOVARTIS AG (CH) 2001-10-09 US disclosed
WO-2001038324-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-31 WO disclosed
CN-1261885-A 2-substituted 4, 5-diarylimidazoles NOVARTIS AG (CH) 2000-08-02 CN disclosed
EP-0993456-A1 2-SUBSTITUTED 4,5-DIARYL IMIDAZOLES Novartis AG (CH) 2000-04-19 EP disclosed
WO-1999001449-A1 2-SUBSTITUTED 4,5-DIARYL IMIDAZOLES NOVARTIS AG (CH) 1999-01-14 WO disclosed