SCHEMBL4590003

SCHEMBL4590003

CC(C)COC(=O)N1CC=C(c2c[nH]c3c(C(N)=O)cc(Br)cc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.40
SLC6A4 P31645 1/20 0.36
MAPK1 P28482 3/20 0.36
CHEK1 O14757 2/20 0.36
MAP4K4 O95819 2/20 0.36
CHEK2 O96017 2/20 0.36
PRKCG P05129 2/20 0.36
CDK1 P06493 2/20 0.36
PIM1 P11309 2/20 0.36
FGFR1 P11362 2/20 0.36
PRKACA P17612 2/20 0.36
RPS6KB1 P23443 2/20 0.36
CDK2 P24941 2/20 0.36
MARK3 P27448 2/20 0.36
FLT4 P35916 2/20 0.36
FLT3 P36888 2/20 0.36
CLK2 P49760 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
IRAK1 P51617 2/20 0.36

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
SCHEMBL552701 0.84 GABRP (0.47) WDR5SLC6A4MAPTGABRPGABRD
SCHEMBL14391466 0.84 SLC6A4 (0.40) SLC6A4MAPK1MAPTPOLBBTK
SCHEMBL4665003 0.77 JAK2 (0.38) WDR5MAPK1CHEK1MAP4K4CHEK2
SCHEMBL5024842 0.77 IKBKB (0.47) FLT3AURKABTKIKBKB
SCHEMBL3715658 0.77 DRD2 (0.49) WDR5MAPK1CHEK1MAP4K4CHEK2
SCHEMBL4686147 0.76 TDO2 (0.52) SLC6A4MAPK1MAPTBTKTP53
SCHEMBL4664978 0.74 BTK (0.40) WDR5MAPK1CHEK1MAP4K4CHEK2
SCHEMBL4664786 0.72 BTK (0.39) WDR5MAPK1CHEK1MAP4K4CHEK2
SCHEMBL5302846 0.72 IKBKB (0.43) MAPTMEN1IKBKBALDH1A1KMT2A
SCHEMBL3989890 0.71 TLR9 (0.39) MAPK1MAPTBTKTP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948187-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
EP-1793826-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-06-13 EP disclosed
WO-2007062318-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO disclosed
EP-1703905-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-27 EP disclosed
WO-2006034317-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-30 WO disclosed
WO-2005067923-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-28 WO disclosed