SCHEMBL4604383

SCHEMBL4604383

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
MAPK14 Q16539 17/20 0.52
MAPT P10636 3/20 0.51
MAPK11 Q15759 2/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
ERBB2 P04626 1/20 0.46
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2950992 0.93 MAPK14 (0.58) LMNAMAPK14MAPTMAPK11MAPK13
SCHEMBL4602180 0.87 MAPK14 (0.53) LMNAMAPK14MAPTMAPK11MAPK13
SCHEMBL4603570 0.83 LMNA (0.55) LMNAMAPK14MAPTMAPK11MAPK13
SCHEMBL4602710 0.83 MAPK14 (0.57) LMNAMAPK14MAPTMAPK11MAPK13
SCHEMBL6143107 0.83 MAPK14 (0.55) LMNAMAPK14MAPTMAPK11MAPK13
SCHEMBL13198843 0.83 MAPK14 (0.59) LMNAMAPK14MAPTMAPK11MAPK13
SCHEMBL4602537 0.82 MAPK14 (0.60) LMNAMAPK14MAPTMAPK11MAPK13
Hydrochloric Acid SCHEMBL2951603 0.82 MAPK14 (0.58) LMNAMAPK14MAPTMAPK11MAPK13
SCHEMBL4604812 0.80 MAPK14 (0.57) MAPK14MAPTMAPK11MAPK13MAPK12
SCHEMBL4603231 0.80 LMNA (0.52) LMNAMAPK14MAPTMAPK11MAPK13

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