SCHEMBL4731496

SCHEMBL4731496

O=C(O)[C@@H](NCCCOc1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.59

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
SCHEMBL4731642 0.94 MAPK14 (0.54) MAPK14
SCHEMBL14201928 0.89 MAPK14 (0.55) MAPK14
SCHEMBL14202739 0.88 MAPK14 (0.59) MAPK14
SCHEMBL4730691 0.86 MAPK14 (0.54) MAPK14
SCHEMBL4798237 0.86 MAPK14 (0.56) MAPK14
SCHEMBL14201931 0.84 MAPK14 (0.57) MAPK14
SCHEMBL14203884 0.84 MAPK14 (0.60) MAPK14
SCHEMBL14204730 0.81 MAPK14 (0.53) MAPK14
SCHEMBL14204120 0.81 MAPK14 (0.52) MAPK14
SCHEMBL4732512 0.81 MAPK14 (0.48) MAPK14

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 3 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 claimed
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