SCHEMBL3388916

SCHEMBL3388916

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(OC3CCN(C(=O)c4ccccc4F)CC3)nc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.38
MAPK12 P53778 5/20 0.38
MAPK13 O15264 4/20 0.38
MAPK11 Q15759 4/20 0.38
PTK2B Q14289 2/20 0.35
TRPV1 Q8NER1 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
TNF P01375 2/20 0.33
DDR2 Q16832 2/20 0.33
GSK3A P49840 1/20 0.33
CIT O14578 1/20 0.32
MUSK O15146 1/20 0.32
MAP3K7 O43318 1/20 0.32
RIPK2 O43353 1/20 0.32
STK10 O94804 1/20 0.32
MAP4K4 O95819 1/20 0.32
CHEK2 O96017 1/20 0.32

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
SCHEMBL3390161 0.93 SMN1; SMN2 (0.34) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3388858 0.93 MAPK14 (0.37) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3393250 0.88 MAPK12 (0.40) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3388913 0.86 MAPK14 (0.55) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3394279 0.83 MALT1 (0.37) MAPK14MAPK12MAPK13MAPK11ALDH1A1
SCHEMBL3422290 0.83 MAPK14 (0.37) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3389727 0.81 GBA1 (0.38) MAPK14MAPK12MAPK13MAPK11ALDH1A1
SCHEMBL3392832 0.81 BRAF (0.35) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3391110 0.81 GBA1 (0.41)
SCHEMBL3390664 0.81 BRAF (0.35) MAPK14MAPK12MAPK13MAPK11PTK2B

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-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed