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SCHEMBL4603670

SCHEMBL4603670

COc1ncccc1C(=O)N1CCC(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 2/20 0.53
▸ RAF1 P04049 1/20 0.53
▸ MAPK14 Q16539 17/20 0.51
▸ BRAF P15056 1/20 0.47
▸ MAPK11 Q15759 2/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ MAPK12 P53778 1/20 0.46

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
SCHEMBL4604146 0.90 MAPK14 (0.52) MAPK13RAF1MAPK14BRAFMAPK11
SCHEMBL4603381 0.88 MAPK14 (0.51) MAPK13RAF1MAPK14MAPK11MAPT
SCHEMBL4603358 0.85 MAPK14 (0.57) MAPK13RAF1MAPK14MAPK11MAPT
SCHEMBL4603357 0.85 MAPK14 (0.57) MAPK13RAF1MAPK14MAPK11MAPT
SCHEMBL2953552 0.83 MAPK14 (0.63) MAPK13RAF1MAPK14MAPK11MAPT
SCHEMBL4603137 0.83 MAPK14 (0.54) MAPK13RAF1MAPK14BRAFMAPK11
SCHEMBL4603225 0.82 MAPK14 (0.51) MAPK13RAF1MAPK14MAPK11MAPT
SCHEMBL4604171 0.81 MAPK14 (0.61) MAPK13RAF1MAPK14MAPK11MAPT
SCHEMBL2960137 0.81 MAPK14 (0.55) MAPK13RAF1MAPK14MAPK11MAPT
SCHEMBL4604675 0.81 MAPK14 (0.55) MAPK13RAF1MAPK14MAPK11MAPT

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