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SCHEMBL4604121

SCHEMBL4604121

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.53
▸ MAPK13 O15264 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ABL1 P00519 1/20 0.44
▸ EEF2K O00418 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ERBB2 P04626 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42

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
SCHEMBL2955221 0.92 MAPK14 (0.47) MAPK14MAPK13KDM4EHTTEEF2K
SCHEMBL4603694 0.90 MAPK14 (0.53) MAPK14MAPK13ERBB2MAPK11
SCHEMBL4603906 0.87 MAPK14 (0.55) MAPK14MAPK13ABL1LMNAERBB2
SCHEMBL2960425 0.84 EPHX2 (0.48) MAPK14MAPK13LMNAERBB2MAPK11
SCHEMBL13234488 0.81 KDM4E (0.71) MAPK14MAPK13KDM4EHTTABL1
SCHEMBL4604376 0.79 PRKAA2 (0.56) MAPK14MAPK13ERBB2MAPK11
SCHEMBL2953808 0.79 MAPK14 (0.48) MAPK14MAPK13MAPK11
SCHEMBL5474139 0.78 MAPK14 (0.60) MAPK14MAPK13ABL1MAPK11
SCHEMBL2951220 0.77 MAPK14 (0.49) MAPK14MAPK13LMNA
SCHEMBL5475406 0.77 MAPK14 (0.56) MAPK14MAPK13ABL1MAPK11

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