SCHEMBL3390673

SCHEMBL3390673

Cc1ccc(-n2nc(C3(C(F)(F)F)CC3)cc2NC(=O)N(OS(C)(=O)=O)c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)nc2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 8/20 0.38
KCNJ5 P48544 8/20 0.38
KCNJ3 P48549 8/20 0.38
GBA1 P04062 3/20 0.36
DGAT1 O75907 1/20 0.33
BRAF P15056 2/20 0.32
NPY2R P49146 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 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
SCHEMBL3392430 0.94 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3GBA1BRAF
SCHEMBL3388802 0.93 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3GBA1DGAT1
SCHEMBL3392133 0.88 KCNJ6 (0.34) KCNJ6KCNJ5KCNJ3BRAFKMT2A
SCHEMBL3393260 0.86 KCNJ6 (0.40) KCNJ6KCNJ5KCNJ3BRAFALDH1A1
SCHEMBL3390667 0.85 KCNJ6 (0.45) KCNJ6KCNJ5KCNJ3GBA1DGAT1
SCHEMBL3390681 0.85 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3GBA1NPY2R
SCHEMBL3391094 0.84 KCNJ6 (0.47) KCNJ6KCNJ5KCNJ3GBA1DGAT1
SCHEMBL3392426 0.79 KCNJ6 (0.50) KCNJ6KCNJ5KCNJ3GBA1BRAF
SCHEMBL3422863 0.78 KCNJ6 (0.40) KCNJ6KCNJ5KCNJ3KMT2AKDM4E
SCHEMBL3388799 0.78 KCNJ6 (0.49) KCNJ6KCNJ5KCNJ3GBA1BRAF

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