SCHEMBL4603200

SCHEMBL4603200

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OC(C(=O)c3c(Cl)cccc3Cl)C3CCNCC3)c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.55
TNF P01375 4/20 0.53
MAPK12 P53778 9/20 0.53
MAPK13 O15264 2/20 0.53
MAPK11 Q15759 2/20 0.53
DDR2 Q16832 2/20 0.53
HCK P08631 5/20 0.53
SRC P12931 4/20 0.53
BRAF P15056 3/20 0.53
CIT O14578 1/20 0.53
MUSK O15146 1/20 0.53
MAP3K7 O43318 1/20 0.53
RIPK2 O43353 1/20 0.53
STK10 O94804 1/20 0.53
MAP4K4 O95819 1/20 0.53
CHEK2 O96017 1/20 0.53
ABL1 P00519 1/20 0.53
EGFR P00533 1/20 0.53
RAF1 P04049 1/20 0.53
NTRK1 P04629 1/20 0.53

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
SCHEMBL4601517 0.84 MAPK14 (0.55) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL4601507 0.83 MAPK14 (0.55) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL295776 0.80 MAPK14 (0.70) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL29593878 0.80 MAPK14 (0.70) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL4603759 0.79 MAPK14 (0.57) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL4603194 0.78 MAPK14 (0.60) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL4601509 0.78 MAPK14 (0.64) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL6680086 0.77 MAPK14 (0.72) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL1619962 0.76 MAPK14 (0.59) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL3886613 0.75 MAPK14 (0.53) MAPK14MAPK12MAPK13MAPK11DDR2

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