SCHEMBL2639760

SCHEMBL2639760

COc1cc(Cc2ccccn2)c2[nH]c(=O)c(C#N)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
KCNA5 P22460 4/20 0.41
KCNH2 Q12809 4/20 0.41
HPGD P15428 4/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CD274 Q9NZQ7 2/20 0.37
MAPK1 P28482 2/20 0.37
IDH1 O75874 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
GNRHR P30968 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2640067 0.84 CLK1 (0.44) IDO1KCNA5KCNH2HPGDMEN1
SCHEMBL2639285 0.83 KCNA5 (0.46) IDO1KCNA5KCNH2HPGDMEN1
SCHEMBL2639092 0.81 IDO1 (0.45) IDO1KCNA5KCNH2HPGDMEN1
SCHEMBL6064429 0.79 KCNA5 (0.53) IDO1KCNA5KCNH2HPGDMEN1
SCHEMBL2640028 0.77 KCNA5 (0.51) IDO1KCNA5KCNH2HPGDMEN1
SCHEMBL3622694 0.76 KCNA5 (0.51) KCNA5KCNH2KDM4EGLAGRIN1
SCHEMBL2640045 0.74 ALDH1A1 (0.58) IDO1KCNA5KCNH2HPGDMEN1
SCHEMBL2639657 0.72 IDO1 (0.43) IDO1HPGDMEN1HTTKMT2A
SCHEMBL1383398 0.68 KCNA5 (0.67) KCNA5KCNH2GNRHR
Hydrochloric Acid SCHEMBL6065024 0.67 ALDH1A1 (0.39) KCNA5KCNH2HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4794445-B2 2011-10-19 JP claimed
EP-1667973-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030792-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
EP-1667973-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030792-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO disclosed