SCHEMBL3389727

SCHEMBL3389727

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nc2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.38
MAPK14 Q16539 2/20 0.35
TNF P01375 1/20 0.35
BRAF P15056 4/20 0.35
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 3/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.34
DGAT1 O75907 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPY2R P49146 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GPR6 P46095 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL3415920 0.93 BRAF (0.36) MAPK14TNFBRAFLMNAHTT
SCHEMBL3393250 0.93 MAPK12 (0.40) GBA1MAPK14BRAFLMNAL3MBTL1
SCHEMBL3391158 0.93 GBA1 (0.37) GBA1MAPK14TNFBRAFLMNA
SCHEMBL3422290 0.88 MAPK14 (0.37) GBA1MAPK14BRAFHTTGAA
SCHEMBL3392536 0.87 LMNA (0.34) MAPK14TNFBRAFLMNAKDM4E
SCHEMBL3392832 0.86 BRAF (0.35) MAPK14BRAFLMNAGPR6MAPK13
SCHEMBL3391110 0.86 GBA1 (0.41) GBA1NPY2R
SCHEMBL3390664 0.86 BRAF (0.35) MAPK14BRAFLMNAHTTTSHR
SCHEMBL3174404 0.86 MAPK14 (0.38) MAPK14BRAFLMNAHTTTSHR
SCHEMBL3389419 0.85 ALDH1A1 (0.39) MAPK14LMNATSHRMAPTGAA

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