SCHEMBL5032463

SCHEMBL5032463

CN(c1cccnc1)c1ncccc1CC(F)(c1cccnc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.56
POLQ O75417 1/20 0.38
CYP19A1 P11511 2/20 0.37
CYP3A4 P08684 5/20 0.35
GRM5 P41594 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MLYCD O95822 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL886825 0.85 KCNA5 (0.56) KCNA5POLQCYP19A1CYP3A4NOTUM
SCHEMBL1367302 0.79 KCNA5 (0.64) KCNA5POLQCYP3A4GRM5NOTUM
SCHEMBL2062944 0.78 KCNA5 (0.67) KCNA5POLQGRM5NOTUM
SCHEMBL1376788 0.72 KCNA5 (0.47) KCNA5POLQCYP19A1CYP3A4GRM5
SCHEMBL884806 0.72 KCNA5 (1.00) KCNA5
SCHEMBL10094607 0.72 KCNA5 (0.57) KCNA5GRM5NOTUM
SCHEMBL2062954 0.72 KCNA5 (0.55) KCNA5POLQGRM5HDAC6NOTUM
SCHEMBL884617 0.70 KCNA5 (0.95) KCNA5
SCHEMBL2062668 0.69 KCNA5 (0.51) KCNA5GRM5NOTUM
SCHEMBL884543 0.68 KCNA5 (0.80) KCNA5

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 disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed