SCHEMBL4043676

SCHEMBL4043676

CNc1cc(-n2nccc2Nc2cc(NC(=O)c3ccnc(CC(C)OC)c3)ccc2C)ncn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.44
LCK P06239 2/20 0.38
LYN P07948 2/20 0.38
HCK P08631 2/20 0.38
SRC P12931 2/20 0.38
KDR P35968 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL4038897 0.92 MAPK14 (0.46) MAPK14LCKLYNHCKSRC
SCHEMBL4035179 0.89 LCK (0.42) MAPK14LCKLYNHCKSRC
SCHEMBL3587482 0.83 MAPK14 (0.46) MAPK14LCKLYNHCKSRC
SCHEMBL3591361 0.82 LMNA (0.48) MAPK14BRAF
SCHEMBL3596225 0.82 MAPK14 (0.47) MAPK14LCKLYNHCKSRC
SCHEMBL3598459 0.82 MAPK14 (0.49) MAPK14BRAF
SCHEMBL9967420 0.81 LCK (0.51) MAPK14LCKLYNHCKSRC
SCHEMBL4044445 0.81 MAPK14 (0.48) MAPK14LCKLYNHCKSRC
SCHEMBL27784501 0.81 KDR (0.42) MAPK14LCKLYNHCKSRC
SCHEMBL9970882 0.80 MAPK14 (0.43) MAPK14LCKLYNHCKSRC

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