SCHEMBL13380385

SCHEMBL13380385

N#Cc1c(-c2ccnc(S)n2)n(-c2ccc(F)cc2)c(=O)n1C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.39
MAPK13 O15264 3/20 0.33
MAPK12 P53778 3/20 0.33
MAPK11 Q15759 3/20 0.33
AOC3 Q16853 2/20 0.33
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
PRKDC P78527 1/20 0.32
BTK Q06187 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31

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
SCHEMBL13376810 0.86 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11AOC3
SCHEMBL13376669 0.85 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11AOC3
SCHEMBL13380326 0.84 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11AOC3
SCHEMBL13376635 0.81 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11MAPK8
SCHEMBL13376808 0.72 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11AOC3
SCHEMBL13376711 0.69 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11AOC3
SCHEMBL13376636 0.66 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11AOC3
SCHEMBL13380320 0.66 MAPK13 (0.35) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL13376809 0.62 ALDH1A1 (0.43) MAPK14MAPK13MAPK12MAPK11AOC3
SCHEMBL13376606 0.61 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11AOC3

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-7700771-B2 Heterocyclic compound which may be used as a medicine having p38 MAP kinase inhibitory activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-04-20 US disclosed