SCHEMBL4721236

SCHEMBL4721236

COC(=O)c1ccc(N(C(=O)O)c2ccc3cc(-c4nc(-c5ccccc5)[nH]c4-c4ccncc4)ccc3c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.72
MAPK14 Q16539 10/20 0.66
MAPK13 O15264 6/20 0.60
MAPK12 P53778 6/20 0.60
MAPK11 Q15759 6/20 0.60
ALOX5 P09917 3/20 0.60
GCGR P47871 1/20 0.60
CSNK1D P48730 2/20 0.54
CSNK1E P49674 2/20 0.54
TEK Q02763 4/20 0.53
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
GFER P55789 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
SCHEMBL4490139 0.81 RAF1 (0.69) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL17002180 0.80 MAPK14 (1.00) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4552086 0.79 RAF1 (0.88) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL30762099 0.79 RAF1 (0.76) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL31742329 0.79 RAF1 (0.76) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4467742 0.77 RAF1 (0.64) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL2649978 0.75 MAPK14 (1.00) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12180841 0.74 RAF1 (0.68) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL8797140 0.74 RAF1 (0.67) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4472619 0.74 NOX1 (0.53) RAF1MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670780-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-12-17 EP disclosed
EP-1670780-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-21 EP disclosed
WO-2005030151-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (US) 2005-04-07 WO disclosed