SCHEMBL886792

SCHEMBL886792

CN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1cnccn1.N#Cc1ccc(C(Cc2cccnc2-n2cnc3ccccc32)c2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.53
MKNK1 Q9BUB5 4/20 0.34
MKNK2 Q9HBH9 3/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
CYP19A1 P11511 1/20 0.32
KCNH2 Q12809 2/20 0.31
GBA1 P04062 1/20 0.30

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
SCHEMBL2062839 0.85 MKNK1 (0.43) KCNA5MKNK1MKNK2JAK2JAK3
SCHEMBL885805 0.82 KCNA5 (0.41) KCNA5MKNK1MKNK2KCNH2
SCHEMBL884468 0.82 KCNA5 (0.79) KCNA5CYP19A1KCNH2GBA1
SCHEMBL2063123 0.78 KCNA5 (0.82) KCNA5KCNH2
SCHEMBL885991 0.76 KCNA5 (0.49) KCNA5MKNK1MKNK2KCNH2
SCHEMBL884895 0.75 KCNA5 (0.82) KCNA5KCNH2
SCHEMBL884617 0.74 KCNA5 (0.95) KCNA5KCNH2
SCHEMBL884806 0.73 KCNA5 (1.00) KCNA5KCNH2
SCHEMBL884927 0.72 KCNA5 (0.46) KCNA5KCNH2
SCHEMBL884928 0.72 KCNA5 (0.46) KCNA5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed