SCHEMBL4603053

SCHEMBL4603053

COc1ccccc1C(=O)N1CCN(Cc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.53
MAPK11 Q15759 2/20 0.52
MAPK13 O15264 1/20 0.52
MAPT P10636 1/20 0.52
MAPK12 P53778 1/20 0.52
ERBB2 P04626 1/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL4602710 0.90 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL4604812 0.87 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL4603694 0.85 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL4601384 0.84 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL6142656 0.84 MAPK14 (0.66) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL2950992 0.83 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL4604376 0.83 PRKAA2 (0.56) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL2960045 0.83 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL4615972 0.83 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL6143107 0.83 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPTMAPK12

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