SCHEMBL3388802

SCHEMBL3388802

Cc1ccc(-n2nc(C3(C(F)(F)F)CC3)cc2NC(=O)N(OS(C)(=O)=O)c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 9/20 0.41
KCNJ5 P48544 9/20 0.41
KCNJ3 P48549 9/20 0.41
BRAF P15056 2/20 0.36
GBA1 P04062 1/20 0.36
HTT P42858 3/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPY2R P49146 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 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
SCHEMBL3393260 0.93 KCNJ6 (0.40) KCNJ6KCNJ5KCNJ3BRAFHTT
SCHEMBL3390673 0.93 KCNJ6 (0.38) KCNJ6KCNJ5KCNJ3BRAFGBA1
SCHEMBL3390681 0.92 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3GBA1HTT
SCHEMBL3392430 0.86 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3BRAFGBA1
SCHEMBL3422863 0.85 KCNJ6 (0.40) KCNJ6KCNJ5KCNJ3HTTMAPT
SCHEMBL3388799 0.85 KCNJ6 (0.49) KCNJ6KCNJ5KCNJ3BRAFGBA1
SCHEMBL3392537 0.81 MAPK14 (0.37) BRAFHTTTSHRLMNAMAPT
SCHEMBL3392133 0.81 KCNJ6 (0.34) KCNJ6KCNJ5KCNJ3BRAFLMNA
SCHEMBL3393761 0.79 MAPK14 (0.44) BRAFMAPK13MAPK12MAPK11MAPK14
SCHEMBL3390667 0.78 KCNJ6 (0.45) KCNJ6KCNJ5KCNJ3BRAFGBA1

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