SCHEMBL3814294

SCHEMBL3814294

COc1cccc(CC(c2cccnc2)(c2cccnc2)c2cccc(C(=O)N3CCCC3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNE Q9Y223 1/20 0.39
KCNK3 O14649 5/20 0.38
KCNK9 Q9NPC2 5/20 0.38
KIT P10721 1/20 0.37
ADORA2B P29275 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34

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
SCHEMBL3812287 0.77 CYP19A1 (0.33) KIT
SCHEMBL1379427 0.76 NPSR1 (0.47) KITADORA2BMEN1KMT2A
SCHEMBL3814663 0.76 BACE1 (0.33) KIT
SCHEMBL1381052 0.75 GRM5 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL1379181 0.75 PTGER2 (0.36)
SCHEMBL1379534 0.75 PTGER2 (0.36)
SCHEMBL3816707 0.73 PTGS2 (0.32)
SCHEMBL27422387 0.73 GNE (0.60) GNEKCNK3KCNK9ALDH1A1MEN1
SCHEMBL1381518 0.72 KCNA5 (0.37) KMT2A
SCHEMBL1379821 0.72 NUDT1 (0.35)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP disclosed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP disclosed
WO-2006014877-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed