SCHEMBL4604368

SCHEMBL4604368

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OC3CCN(C(=O)c4c(Cl)cccc4Cl)CC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.58
MAPK13 O15264 7/20 0.56
MAPK12 P53778 5/20 0.56
MAPK11 Q15759 5/20 0.56
MAPK9 P45984 2/20 0.54
DDR2 Q16832 2/20 0.54
PTK2 Q05397 6/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
SRC P12931 1/20 0.51
CYP2C8 P10632 1/20 0.51
BRAF P15056 1/20 0.50

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 0.89 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4603451 0.87 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4604375 0.86 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4603759 0.84 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4603928 0.84 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4603471 0.83 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4601552 0.82 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4603456 0.82 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4603231 0.82 LMNA (0.52) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4602532 0.81 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAPK9

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