SCHEMBL4603906

SCHEMBL4603906

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(CN2CCN(C(=O)c3c(F)cccc3F)CC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.55
MAPK13 O15264 4/20 0.53
LMNA P02545 1/20 0.48
ABL1 P00519 1/20 0.46
FAAH O00519 1/20 0.45
MAPK11 Q15759 2/20 0.44
MAPK12 P53778 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ERBB2 P04626 1/20 0.44

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
SCHEMBL2953808 0.92 MAPK14 (0.48) MAPK14MAPK13FAAHMAPK11MAPK12
SCHEMBL6143107 0.90 MAPK14 (0.55) MAPK14MAPK13LMNAMAPK11MAPK12
SCHEMBL4604121 0.87 MAPK14 (0.53) MAPK14MAPK13LMNAABL1MAPK11
SCHEMBL4602180 0.85 MAPK14 (0.53) MAPK14MAPK13LMNAMAPK11MAPK12
SCHEMBL2951220 0.85 MAPK14 (0.49) MAPK14MAPK13LMNA
SCHEMBL2950787 0.83 MAPK14 (0.56) MAPK14MAPK13LMNA
SCHEMBL2948049 0.83 MAPK14 (0.49) MAPK14MAPK13LMNAMAPK11MAPK12
SCHEMBL4602560 0.81 RAB9A (0.47) MAPK14MAPK13LMNAMAPK11MAPK12
SCHEMBL2950992 0.80 MAPK14 (0.58) MAPK14MAPK13LMNAMAPK11MAPK12
SCHEMBL4602299 0.80 MAPK14 (0.47) MAPK14MAPK13MAPK11MAPK12ERBB2

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-1761520-B1 KINASE INHIBITORS LILLY CO ELI (US) 2008-07-09 EP disclosed