SCHEMBL2214546

SCHEMBL2214546

NCc1ccc(-c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 1.00
RAF1 P04049 4/20 0.74
ALOX5 P09917 1/20 0.65
MAPK14 Q16539 6/20 0.60
MAPK13 O15264 5/20 0.60
MAPK12 P53778 5/20 0.60
MAPK11 Q15759 5/20 0.60
GCGR P47871 2/20 0.55
BRDT Q58F21 1/20 0.55
CSNK1D P48730 1/20 0.54
CSNK1E P49674 1/20 0.54

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
SCHEMBL7643418 0.85 BRAF (1.00) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL29355176 0.85 BRAF (1.00) BRAFRAF1MAPK14MAPK13MAPK12
Bromide SCHEMBL7648283 0.83 BRAF (0.95) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL7648286 0.81 BRAF (0.91) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL12856388 0.81 BRAF (0.90) BRAFRAF1ALOX5MAPK14MAPK13
SCHEMBL7236344 0.80 ALOX5 (0.79) BRAFRAF1ALOX5MAPK14MAPK13
SCHEMBL16511391 0.80 ALOX5 (0.79) BRAFRAF1ALOX5MAPK14MAPK13
SCHEMBL4553281 0.79 ALOX5 (1.00) BRAFRAF1ALOX5MAPK14MAPK13
SCHEMBL6465062 0.79 ALOX5 (1.00) BRAFRAF1ALOX5MAPK14MAPK13
SCHEMBL28017623 0.77 MAPK13 (0.66) BRAFRAF1ALOX5MAPK14MAPK13

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 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2447266-B1 Pyrimidopyridine compound used as a CSBP/RK/p38 modulator GLAXO GROUP LTD (GB) 2013-06-12 EP disclosed
US-8354416-B2 3-[2-{[3-(diethylamino)propyl]amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-N-(1-methylethyl)benzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 US disclosed
EP-1654235-B1 3- AMINOCARBONYL, 6-PHENYL SUBSTITUTED PYRIDINE-1-OXIDES AS P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
EP-1868611-B1 8-PHENYL-7,8-DIHYDROPYRIDO[2,3-d]PYRIMIDIN-7-ONES GLAXO GROUP LTD (GB) 2012-11-14 EP disclosed
CN-102746299-A 8-PHENYL-7,8-DIHYDROPYRIDO[2,3-d]PYRIMIDIN-7-ONES AND THEIR USE AS PHARMACEUTICALS GLAXO GROUP LTD 2012-10-24 CN disclosed
CN-102746300-A 8-phenyl-7,8-dihydropyridines[2,3-d]pyrimidine-7-ketone and uses as medicament GLAXO GROUP LTD 2012-10-24 CN disclosed
CN-102746301-A 8-phenyl-7,8-dihydropyrido[2,3-d]pyrimidin-7-ones and their use as pharmaceuticals GLAXO GROUP LTD 2012-10-24 CN disclosed
US-8207176-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
EP-2447266-A1 Pyrimidopyridine compound used as a CSBP/RK/p38 modulator GLAXO GROUP LIMITED (GB) 2012-05-02 EP disclosed
CN-101184758-B Novel compounds GLAXO GROUP LTD 2012-05-02 CN disclosed
EP-1261602-A1 IMIDAZOL-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-12-04 EP disclosed
WO-2002094808-A1 IMIDAZOLE-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-28 WO disclosed
EP-1257543-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM PLC (GB) 2002-11-20 EP disclosed
EP-1232153-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-08-21 EP disclosed
WO-2002055077-A1 USE OF IMIDAZOLYL CYCLIC ACETAL DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF DISEASES MEDIATED BY THE ALK5 RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-18 WO disclosed
WO-2002024680-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 WO disclosed
WO-2001072737-A1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 WO disclosed
WO-2001066540-A1 IMIDAZOL-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-09-13 WO disclosed
WO-2001062756-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 WO disclosed
WO-2001038324-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-31 WO disclosed