SCHEMBL13315249

SCHEMBL13315249

CC(C)(C)c1cc(C(=O)NCc2cccnc2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.52
GAA P10253 1/20 0.48
SGK1 O00141 1/20 0.48
MAPK13 O15264 1/20 0.48
DAPK3 O43293 1/20 0.48
RIPK2 O43353 1/20 0.48
NTRK1 P04629 1/20 0.48
PRKCB P05771 1/20 0.48
LYN P07948 1/20 0.48
RET P07949 1/20 0.48
CYP3A4 P08684 1/20 0.48
BRAF P15056 1/20 0.48
RPS6KB1 P23443 1/20 0.48
EPHA2 P29317 1/20 0.48
EPHB2 P29323 1/20 0.48
ACVR1B P36896 1/20 0.48
MAPK9 P45984 1/20 0.48
NEK3 P51956 1/20 0.48
MAPK12 P53778 1/20 0.48
EPHB4 P54760 1/20 0.48

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
SCHEMBL13315250 0.87 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11NAMPT
SCHEMBL3553716 0.81 MAPK14 (0.56) MAPK14SGK1MAPK13DAPK3RIPK2
SCHEMBL13315251 0.80 RPS6KB1 (0.53) MAPK14RPS6KB1NAMPT
SCHEMBL3541451 0.78 MAPK14 (0.65) MAPK14SGK1MAPK13DAPK3RIPK2
SCHEMBL3241483 0.76 MAPK14 (0.72) MAPK14SGK1MAPK13DAPK3RIPK2
SCHEMBL3553191 0.73 MAPK14 (0.54) MAPK14SGK1MAPK13DAPK3RIPK2
SCHEMBL3545979 0.72 MAPK14 (0.79) MAPK14SGK1MAPK13DAPK3RIPK2
SCHEMBL13315252 0.71 MAPK14 (0.51) MAPK14SGK1MAPK13DAPK3RIPK2
SCHEMBL3546817 0.71 MAPK14 (0.77) MAPK14SGK1MAPK13DAPK3RIPK2
SCHEMBL3544859 0.71 MEN1 (0.60) MAPK14RPS6KB1NAMPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed