SCHEMBL4342811

SCHEMBL4342811

COc1ccc2nc([AsH]C[C@@H](O)CO)c(C#N)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.52
KCNH2 Q12809 8/20 0.52
SQOR Q9Y6N5 1/20 0.39
DPP4 P27487 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
ADORA1 P30542 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CDK2 P24941 1/20 0.37
CLK1 P49759 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL4342810 1.00 KCNA5 (0.52) KCNA5KCNH2SQORDPP4ABCC8
SCHEMBL2168453 0.84 KCNA5 (0.58) KCNA5KCNH2SQORDPP4ABCC8
SCHEMBL2169804 0.83 KCNA5 (0.59) KCNA5KCNH2SQORDPP4ABCC8
SCHEMBL2169294 0.83 KCNA5 (0.59) KCNA5KCNH2SQORDPP4ABCC8
SCHEMBL2169298 0.83 KCNA5 (0.59) KCNA5KCNH2SQORDPP4ABCC8
SCHEMBL2169067 0.82 KCNA5 (0.50) KCNA5KCNH2SQORDPP4ABCC8
SCHEMBL2168279 0.78 KDM4E (0.49) KCNA5KCNH2SQORABCC8KCNJ11
SCHEMBL5510744 0.76 KCNA5 (0.55) KCNA5KCNH2SQORDPP4ADORA1
SCHEMBL2640082 0.75 KCNA5 (0.74) KCNA5KCNH2KDM4EMAPTALDH1A1
SCHEMBL2168475 0.73 KCNA5 (0.45) KCNA5KCNH2SQORDPP4ABCC8

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-1667683-A4 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-04-29 EP disclosed
EP-1667683-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030129-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO disclosed