SCHEMBL4730689

SCHEMBL4730689

O=C1CCc2c(Br)cc(I)cc2N1c1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.42
MAPK11 Q15759 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
NOTUM Q6P988 1/20 0.33

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
SCHEMBL6670174 0.82 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12KMT2A
SCHEMBL9192753 0.74 RAF1 (0.44) MAPK14KMT2AMEN1GAANOTUM
SCHEMBL4732955 0.73 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12KMT2A
SCHEMBL6669570 0.73 MAPK14 (0.46) MAPK14MAPK11MAPK13MAPK12
SCHEMBL4732271 0.71 SUV39H2 (0.37) MAPK14MAPK11MAPK13MAPK12KMT2A
SCHEMBL6672947 0.70 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6670099 0.69 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12
SCHEMBL4068301 0.68 MAPK14 (0.46) MAPK14KMT2AMEN1GAA
SCHEMBL6667200 0.68 MAPK14 (0.56) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6667920 0.68 MAPK14 (0.71) MAPK14MAPK11MAPK13MAPK12

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
WO-2008053158-A1 INHIBITORS OF P38 MITOGEN-ACTIVATED PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
WO-2008053158-A1 INHIBITORS OF P38 MITOGEN-ACTIVATED PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed