SCHEMBL3393260

SCHEMBL3393260

Cc1ccc(-n2nc(C3(C(F)(F)F)CC3)cc2NC(=O)N(OS(C)(=O)=O)c2ccc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 10/20 0.40
KCNJ5 P48544 10/20 0.40
KCNJ3 P48549 10/20 0.40
BRAF P15056 2/20 0.38
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PTK2B Q14289 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL3388802 0.93 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3BRAFALDH1A1
SCHEMBL3422863 0.92 KCNJ6 (0.40) KCNJ6KCNJ5KCNJ3ALDH1A1HTT
SCHEMBL3392537 0.88 MAPK14 (0.37) BRAFALDH1A1LMNATSHRHTT
SCHEMBL3390673 0.86 KCNJ6 (0.38) KCNJ6KCNJ5KCNJ3BRAFALDH1A1
SCHEMBL3390681 0.85 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
SCHEMBL3393257 0.84 KCNJ6 (0.49) KCNJ6KCNJ5KCNJ3BRAFMAPK13
SCHEMBL3392430 0.82 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3BRAFALDH1A1
SCHEMBL3392133 0.81 KCNJ6 (0.34) KCNJ6KCNJ5KCNJ3BRAFLMNA
SCHEMBL3393761 0.78 MAPK14 (0.44) BRAFMAPK13MAPK12MAPK11MAPK14
SCHEMBL3388799 0.78 KCNJ6 (0.49) KCNJ6KCNJ5KCNJ3BRAFLMNA

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