SCHEMBL1381503

SCHEMBL1381503

N#Cc1ncc2ccc(N(C[C@H](O)CO)OC(F)F)cc2c1-c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.36
KCNH2 Q12809 4/20 0.36
CHEK1 O14757 1/20 0.33
ADORA1 P30542 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL5504618 0.73 KCNA5 (0.42) KCNA5KCNH2CHEK1ADORA1TDP1
SCHEMBL5506532 0.73 KCNA5 (0.42) KCNA5KCNH2CHEK1ADORA1TDP1
SCHEMBL1384577 0.70 KCNA5 (0.59) KCNA5KCNH2TDP1CTDSP1PTGDR2
SCHEMBL1383442 0.70 KCNA5 (0.43) KCNA5KCNH2CHEK1ADORA1TDP1
SCHEMBL5503777 0.70 KCNA5 (0.45) KCNA5KCNH2PTGDR2
SCHEMBL3122268 0.67 KCNA5 (0.66) KCNA5KCNH2ADORA1
SCHEMBL6047723 0.67 KCNA5 (0.66) KCNA5KCNH2ADORA1
SCHEMBL3122262 0.67 KCNA5 (0.66) KCNA5KCNH2ADORA1
SCHEMBL6047738 0.64 KCNA5 (0.66) KCNA5KCNH2ADORA1
SCHEMBL1381502 0.64 KCNA5 (0.66) KCNA5KCNH2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4794446-B2 2011-10-19 JP claimed
EP-1667979-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-04-18 EP claimed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030130-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
EP-1667979-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-04-18 EP disclosed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030130-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO disclosed