SCHEMBL4603231

SCHEMBL4603231

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(OC2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MAPK14 Q16539 15/20 0.51
MAPK13 O15264 4/20 0.49
MAPK12 P53778 3/20 0.49
MAPK11 Q15759 3/20 0.49
MAPT P10636 2/20 0.49
RAF1 P04049 2/20 0.47
BRAF P15056 1/20 0.47
NTRK1 P04629 1/20 0.45

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
SCHEMBL4603086 0.95 NTRK1 (0.49) LMNAMAPK14MAPK13MAPK12MAPK11
SCHEMBL4602559 0.94 LMNA (0.49) LMNAMAPK14MAPK13MAPK12MAPK11
SCHEMBL2960137 0.92 MAPK14 (0.55) LMNAMAPK14MAPK13MAPK12MAPK11
SCHEMBL4602968 0.92 MAPK14 (0.52) LMNAMAPK14MAPK13MAPK12MAPK11
SCHEMBL2957789 0.90 LMNA (0.49) LMNAMAPK14MAPK13MAPK12MAPK11
SCHEMBL4603544 0.90 MAPK14 (0.51) LMNAMAPK14MAPK13MAPK12MAPK11
SCHEMBL4603425 0.88 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL4603928 0.87 MAPK14 (0.51) LMNAMAPK14MAPK13MAPK12MAPK11
SCHEMBL2960293 0.87 LMNA (0.47) LMNAMAPK14MAPK13MAPK12MAPK11
SCHEMBL4603660 0.86 BRAF (0.51) MAPK14MAPK13MAPK12MAPK11MAPT

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