SCHEMBL4039604

SCHEMBL4039604

CCCCc1cc(C(=O)Nc2ccc(C)c(Nc3ccnn3-c3cc(NCCN4CCOCC4)ncn3)c2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.58
BRAF P15056 2/20 0.46
INSR P06213 3/20 0.44
LCK P06239 3/20 0.44
LYN P07948 3/20 0.44
SRC P12931 3/20 0.44
KDR P35968 3/20 0.44
HCK P08631 2/20 0.44

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
SCHEMBL3592143 0.87 MAPK14 (0.58) MAPK14BRAFINSRLCKLYN
SCHEMBL9967406 0.87 MAPK14 (0.56) MAPK14BRAFINSRLCKLYN
SCHEMBL4039607 0.86 MAPK14 (0.48) MAPK14BRAFINSRLCKLYN
SCHEMBL3588437 0.84 LCK (0.63) MAPK14BRAFINSRLCKLYN
SCHEMBL4044422 0.83 MAPK14 (0.55) MAPK14BRAFINSRLCKLYN
SCHEMBL4038564 0.82 MAPK14 (0.43) MAPK14INSRLCKLYNSRC
SCHEMBL3588131 0.82 MAPK14 (0.52) MAPK14BRAFINSRLCKLYN
SCHEMBL3591475 0.80 MAPK14 (0.57) MAPK14BRAFINSRLCKLYN
SCHEMBL3593034 0.80 MAPK14 (0.55) MAPK14BRAFINSRLCKLYN
SCHEMBL3583677 0.80 MAPK14 (0.58) MAPK14BRAFINSRLCKLYN

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