SCHEMBL4602968

SCHEMBL4602968

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(OC2CCN(C(=O)c3ccccc3Cl)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.52
LMNA P02545 2/20 0.51
MAPK13 O15264 5/20 0.48
MAPK12 P53778 4/20 0.48
MAPK11 Q15759 4/20 0.48
MAPT P10636 2/20 0.48
RAF1 P04049 2/20 0.46
BRAF P15056 2/20 0.46
NTRK1 P04629 1/20 0.44

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
SCHEMBL4603231 0.92 LMNA (0.52) MAPK14LMNAMAPK13MAPK12MAPK11
SCHEMBL4603358 0.92 MAPK14 (0.57) MAPK14LMNAMAPK13MAPK12MAPK11
SCHEMBL4602454 0.90 MAPK14 (0.52) MAPK14LMNAMAPK13MAPK12MAPK11
SCHEMBL2959949 0.90 MAPK14 (0.47) MAPK14LMNAMAPK13MAPK12MAPK11
SCHEMBL4603229 0.89 MAPK14 (0.50) MAPK14LMNAMAPK13MAPK12MAPK11
SCHEMBL4603086 0.89 NTRK1 (0.49) MAPK14LMNAMAPK13MAPK12MAPK11
SCHEMBL4603875 0.88 MAPK14 (0.45) MAPK14LMNAMAPK13MAPK12MAPK11
SCHEMBL4603425 0.88 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL4602985 0.88 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL4602559 0.88 LMNA (0.49) MAPK14LMNAMAPK13MAPK12MAPK11

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