SCHEMBL4041365

SCHEMBL4041365

CNc1cc(-n2nc(C)cc2Nc2cc(NC(=O)c3ccnc(CCOC)c3)ccc2C)ncn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.44
LCK P06239 2/20 0.42
LYN P07948 2/20 0.42
HCK P08631 2/20 0.42
SRC P12931 2/20 0.42
KDR P35968 2/20 0.42
BRAF P15056 3/20 0.39

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
SCHEMBL3589048 0.85 MAPK14 (0.44) MAPK14LCKLYNHCKSRC
SCHEMBL9967498 0.85 MAPK14 (0.44) MAPK14LCKLYNHCKSRC
SCHEMBL3594934 0.84 LMNA (0.48) MAPK14BRAF
SCHEMBL3583992 0.83 BRAF (0.46) MAPK14LCKLYNHCKSRC
SCHEMBL3598049 0.83 MAPK14 (0.47) MAPK14BRAF
SCHEMBL3586800 0.83 BRAF (0.46) MAPK14LCKLYNHCKSRC
SCHEMBL9967418 0.82 LCK (0.51) MAPK14LCKLYNHCKSRC
SCHEMBL9970883 0.82 MAPK14 (0.42) MAPK14LCKLYNHCKSRC
SCHEMBL3589609 0.81 BRAF (0.53) BRAF
SCHEMBL3581277 0.80 BRAF (0.47) MAPK14BRAF

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 6 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-2076514-A1 SPIRO (FURO Ý3, 2-C¨PYRIDINE-3-3 ' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2009-07-08 EP disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008046049-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3 ' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO disclosed