SCHEMBL4603475

SCHEMBL4603475

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)c4c(Cl)cccc4Cl)CC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK13 O15264 4/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK9 P45984 2/20 0.37
DDR2 Q16832 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PTK2 Q05397 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL4602536 0.92 FAAH (0.38) MAPK14MAPTTP53SMN1; SMN2LMNA
SCHEMBL2953750 0.91 MAPK14 (0.40) MAPK14MAPTLMNATSHRMAPK13
SCHEMBL3393213 0.87 PTK2B (0.38) MAPK14SMN1; SMN2LMNATSHRALOX12
SCHEMBL4602779 0.87 MAPK13 (0.45) MAPK14MAPTSMN1; SMN2MAPK13MAPK12
SCHEMBL4602880 0.87 MAPK14 (0.43) MAPK14MAPTPOLBMAPK13MAPK12
SCHEMBL4602876 0.86 MAPK14 (0.42) MAPK14MAPTPOLBSMN1; SMN2LMNA
SCHEMBL4603471 0.82 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL3392100 0.80 PTK2B (0.39) MAPK14LMNATSHRALOX12MAPK13
SCHEMBL3393224 0.80 GBA1 (0.38) MAPK14SMN1; SMN2LMNATSHRALOX12
SCHEMBL4604375 0.80 MAPK14 (0.66) 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