SCHEMBL4044337

SCHEMBL4044337

CNC(=O)c1cc(Nc2cc(NC(=O)c3cccc(CC(C)OC)c3)ccc2C)n(-c2cc(NCCN3CCOCC3)ncn2)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.47
LCK P06239 8/20 0.45
KDR P35968 7/20 0.45
LYN P07948 6/20 0.45
SRC P12931 6/20 0.45
INSR P06213 5/20 0.45
HCK P08631 5/20 0.45
BRAF P15056 2/20 0.43

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
SCHEMBL3589397 0.87 LCK (0.51) MAPK14LCKKDRLYNSRC
SCHEMBL3595899 0.86 LCK (0.61) MAPK14LCKKDRLYNSRC
SCHEMBL4045689 0.86 MAPK14 (0.51) MAPK14LCKKDRLYNSRC
SCHEMBL3591920 0.86 LCK (0.55) MAPK14LCKKDRLYNSRC
SCHEMBL3582918 0.84 BRAF (0.55) MAPK14LCKKDRLYNSRC
SCHEMBL3591618 0.83 LCK (0.50) MAPK14LCKKDRLYNSRC
SCHEMBL3596372 0.83 MAPK14 (0.55) MAPK14LCKKDRLYNSRC
SCHEMBL3578082 0.83 MAPK14 (0.47) MAPK14LCKKDRLYNSRC
SCHEMBL13503064 0.82 MAPK14 (0.49) MAPK14LCKKDRLYNSRC
SCHEMBL3589374 0.82 BRAF (0.55) MAPK14LCKKDRLYNSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO disclosed