SCHEMBL5201427

SCHEMBL5201427

COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C)cn2C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.49
MAPK11 Q15759 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
NQO2 P16083 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
ACTR2 P61160 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCR3 P51677 1/20 0.42
MLNR O43193 1/20 0.38
CYP3A4 P08684 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.37

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
SCHEMBL14337990 1.00 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5201423 1.00 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL20883210 1.00 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14454068 1.00 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5204663 0.92 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5204658 0.92 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5237535 0.91 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5207420 0.89 MAPK14 (0.52) MAPK14CYP2C9CYP2C19CCR3DNMT3A
SCHEMBL14185096 0.89 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL20883211 0.86 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178983-B1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2007-10-24 EP claimed
US-7238712-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-07-03 US claimed