SCHEMBL6987237

SCHEMBL6987237

CC(C)(C)[CH]Nc1c(Nc2cccnc2)c(=O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
RAD52 P43351 1/20 0.42
MAPKAPK2 P49137 2/20 0.41
TBXA2R P21731 1/20 0.40
TBXAS1 P24557 1/20 0.40
PLK1 P53350 5/20 0.40
ROCK1 Q13464 3/20 0.40
CHEK1 O14757 2/20 0.40
ROCK2 O75116 2/20 0.40
CHEK2 O96017 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
PRKX P51817 2/20 0.40
CSNK1G2 P78368 2/20 0.40
CDC42BPA Q5VT25 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CSNK1G1 Q9HCP0 2/20 0.40
STK17A Q9UEE5 2/20 0.40
CSNK1G3 Q9Y6M4 2/20 0.40
CDC7 O00311 1/20 0.40

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
SCHEMBL7349452 0.81 PLK1 (0.55) KMT2ARAD52MAPKAPK2TBXA2RTBXAS1
SCHEMBL19956891 0.79 KMT2A (0.49) KMT2ARAD52MAPKAPK2PLK1ROCK1
SCHEMBL7345066 0.76 PLK1 (0.70) MAPKAPK2PLK1ROCK1CHEK1ROCK2
SCHEMBL8371986 0.76 PLK1 (0.70) MAPKAPK2PLK1ROCK1CHEK1ROCK2
SCHEMBL7350556 0.72 MAPKAPK2 (0.43) KMT2ARAD52MAPKAPK2ROCK1CHEK1
SCHEMBL7346763 0.72 TDO2 (0.50) KMT2ARAD52NPC1RAB9ATDP2
SCHEMBL2771874 0.72 POLB (0.46) KMT2ARAD52RAB9ATDP2NSD2
SCHEMBL7351783 0.72 RAD52 (0.45) KMT2ARAD52NPC1RAB9ATDP2
SCHEMBL7555212 0.70 ABCC9 (0.51) KMT2AMAPKAPK2PLK1ROCK1CHEK1
SCHEMBL4023982 0.69 POLB (0.55) KMT2ARAD52NPC1RAB9AMAPK1

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-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP claimed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed