SCHEMBL6989503

SCHEMBL6989503

CC(C)(CNC(=O)c1cc(Cl)cc(Cl)c1)C(Nc1c(Nc2cccnc2)c(=O)c1=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.49
AURKB Q96GD4 3/20 0.39
CYP2C9 P11712 3/20 0.39
ROCK1 Q13464 2/20 0.39
CYP3A4 P08684 2/20 0.39
PDGFRA P16234 2/20 0.39
MAPK1 P28482 2/20 0.39
RPS6KA1 Q15418 2/20 0.39
CSNK1G1 Q9HCP0 2/20 0.39
CSF1R P07333 1/20 0.39
DCLK1 O15075 1/20 0.39
ROCK2 O75116 1/20 0.39
CHEK2 O96017 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
IRAK1 P51617 1/20 0.39
PRKX P51817 1/20 0.39
NEK4 P51957 1/20 0.39
PLK1 P53350 1/20 0.39
CSNK1G2 P78368 1/20 0.39

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
SCHEMBL6983720 0.93 MAPKAPK2 (0.49) MAPKAPK2CSF1RGPR139TBXA2RTBXAS1
SCHEMBL6988227 0.90 MAPKAPK2 (0.49) MAPKAPK2AURKBCYP2C9ROCK1CYP3A4
SCHEMBL6985543 0.87 MAPKAPK2 (0.50) MAPKAPK2AURKBCYP2C9ROCK1CYP3A4
SCHEMBL6990458 0.81 CSF1R (0.44) MAPKAPK2CSF1RTBXA2RTBXAS1MEN1
SCHEMBL6989499 0.79 MAPKAPK2 (0.45) MAPKAPK2CYP2C9CYP3A4CSF1RTBXA2R
SCHEMBL6990454 0.78 ABCC9 (0.52) MAPKAPK2CYP2C9ROCK1CYP3A4CSNK1G1
SCHEMBL6989589 0.78 CCR6 (0.44) MAPKAPK2CYP2C9CYP3A4CCR6ALDH1A1
SCHEMBL6989571 0.75 KMT2A (0.50) MAPKAPK2MAPK1GPR139CCR6MEN1
SCHEMBL6986333 0.74 MEN1 (0.48) CSF1RTBXA2RTBXAS1MEN1ALDH1A1
SCHEMBL6983717 0.73 MAPKAPK2 (0.46) MAPKAPK2CYP2C9CYP3A4CSF1RCYP2D6

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 disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed