SCHEMBL4601552

SCHEMBL4601552

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OC2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.55
MAPK13 O15264 2/20 0.55
MAPT P10636 2/20 0.55
MAPK11 Q15759 2/20 0.55
MAPK12 P53778 1/20 0.55
RAF1 P04049 1/20 0.55
NTRK1 P04629 1/20 0.49
RET P07949 1/20 0.49
EPHB2 P29323 1/20 0.49
KDR P35968 1/20 0.49
LMNA P02545 1/20 0.48
ERBB2 P04626 1/20 0.48

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
SCHEMBL2960137 0.93 MAPK14 (0.55) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL4603086 0.91 NTRK1 (0.49) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL2957016 0.89 MAPT (0.48) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL4603928 0.88 MAPK14 (0.51) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL4604062 0.88 EPHX2 (0.53) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL4603358 0.87 MAPK14 (0.57) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL4603924 0.87 MAPK14 (0.53) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL4604675 0.86 MAPK14 (0.55) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL4602243 0.86 MAPK14 (0.60) MAPK14MAPK13MAPTMAPK11MAPK12
SCHEMBL4603231 0.86 LMNA (0.52) MAPK14MAPK13MAPTMAPK11MAPK12

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