SCHEMBL3393250

SCHEMBL3393250

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK12 P53778 3/20 0.40
MAPK14 Q16539 3/20 0.40
MAPK13 O15264 2/20 0.40
MAPK11 Q15759 2/20 0.40
GBA1 P04062 1/20 0.38
HTT P42858 4/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
PTK2B Q14289 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
BRAF P15056 4/20 0.36
NPY2R P49146 1/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3422290 0.95 MAPK14 (0.37) MAPK12MAPK14MAPK13MAPK11GBA1
SCHEMBL3389727 0.93 GBA1 (0.38) MAPK12MAPK14MAPK13MAPK11GBA1
SCHEMBL3391110 0.93 GBA1 (0.41) GBA1NPY2R
SCHEMBL3392832 0.93 BRAF (0.35) MAPK12MAPK14MAPK13MAPK11LMNA
SCHEMBL3390664 0.93 BRAF (0.35) MAPK12MAPK14MAPK13MAPK11HTT
SCHEMBL3174404 0.93 MAPK14 (0.38) MAPK12MAPK14MAPK13MAPK11HTT
SCHEMBL3389419 0.92 ALDH1A1 (0.39) MAPK14LMNATSHRMAPTPTK2B
SCHEMBL3393224 0.92 GBA1 (0.38) MAPK12MAPK14MAPK13MAPK11GBA1
SCHEMBL3389769 0.90 JAK2 (0.37) MAPK12MAPK14MAPK13MAPK11HTT
SCHEMBL3394251 0.90 PTK2B (0.39) MAPK14GBA1HTTLMNATSHR

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