SCHEMBL4604171

SCHEMBL4604171

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OC2CCN(C(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.61
MAPK13 O15264 2/20 0.58
RAF1 P04049 1/20 0.58
MAPT P10636 1/20 0.56
MAPK12 P53778 1/20 0.56
MAPK11 Q15759 1/20 0.56
NAMPT P43490 1/20 0.53

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
SCHEMBL4602243 0.90 MAPK14 (0.60) MAPK14MAPK13RAF1MAPTMAPK12
SCHEMBL4604351 0.89 MAPK14 (0.60) MAPK14MAPK13RAF1MAPTMAPK12
SCHEMBL2951450 0.89 MAPK14 (0.59) MAPK14MAPK13RAF1MAPTMAPK12
SCHEMBL4603262 0.88 MAPK14 (0.58) MAPK14MAPK13RAF1MAPTMAPK12
SCHEMBL2955752 0.87 MAPK14 (0.48) MAPK14MAPK13RAF1MAPTMAPK12
SCHEMBL2953552 0.87 MAPK14 (0.63) MAPK14MAPK13RAF1MAPTMAPK12
SCHEMBL4602368 0.86 MAPK14 (0.60) MAPK14MAPK13RAF1MAPTMAPK12
SCHEMBL4602284 0.86 MAPK14 (0.55) MAPK14MAPK13RAF1MAPTMAPK12
SCHEMBL2956606 0.85 MAPK14 (0.64) MAPK14MAPK13RAF1MAPTMAPK12
SCHEMBL4604675 0.85 MAPK14 (0.55) MAPK14MAPK13RAF1MAPTMAPK12

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