SCHEMBL5205440

SCHEMBL5205440

CN1CCN(C(=O)C(=O)c2cn(OC(=O)N(C)C)c3cc(Cl)c(C(=O)N4CCC(Cc5ccc(F)cc5)CC4)cc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.58
MAPK11 Q15759 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
NQO2 P16083 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
ACTR2 P61160 1/20 0.43
MLNR O43193 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 1/20 0.39
CCR5 P51681 1/20 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
SCHEMBL5201743 0.91 MAPK14 (0.56) MAPK14MLNRCYP3A4CYP2C9CYP2C19
SCHEMBL5204693 0.89 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5205291 0.87 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5205942 0.87 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5202678 0.84 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5202008 0.81 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5202317 0.81 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5201793 0.81 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5203711 0.81 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14454036 0.80 MAPK14 (0.53) MAPK14CYP2C9CYP2C19HTR2B

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
EP-1178983-B1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2007-10-24 EP claimed