SCHEMBL4367922

SCHEMBL4367922

C[C@@H](Nc1c(Nc2ccnc(-c3cccc(-c4ccccc4)c3)c2)c(=O)c1=O)c1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 17/20 0.89
AURKB Q96GD4 4/20 0.74
PDGFRA P16234 3/20 0.74
CSNK1G1 Q9HCP0 3/20 0.74
FYN P06241 1/20 0.74
MAPK1 P28482 2/20 0.70
MAPK14 Q16539 1/20 0.70
ROCK1 Q13464 2/20 0.62
PLK1 P53350 2/20 0.62
DCLK1 O15075 1/20 0.62
ROCK2 O75116 1/20 0.62
CHEK2 O96017 1/20 0.62
GSK3A P49840 1/20 0.62
GSK3B P49841 1/20 0.62
IRAK1 P51617 1/20 0.62
PRKX P51817 1/20 0.62
NEK4 P51957 1/20 0.62
CSNK1G2 P78368 1/20 0.62
CDC42BPA Q5VT25 1/20 0.62
BRSK1 Q8TDC3 1/20 0.62

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
SCHEMBL4363960 0.94 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1FYN
SCHEMBL4371796 0.92 MAPKAPK2 (0.83) MAPKAPK2AURKBPDGFRACSNK1G1FYN
SCHEMBL4363942 0.91 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1FYN
SCHEMBL4369843 0.90 MAPKAPK2 (0.78) MAPKAPK2AURKBPDGFRACSNK1G1FYN
SCHEMBL4366450 0.90 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1FYN
SCHEMBL4374790 0.89 MAPKAPK2 (0.85) MAPKAPK2AURKBPDGFRACSNK1G1FYN
SCHEMBL4369853 0.89 MAPKAPK2 (1.00) MAPKAPK2AURKBPDGFRACSNK1G1FYN
SCHEMBL4370808 0.88 MAPKAPK2 (0.87) MAPKAPK2AURKBPDGFRACSNK1G1FYN
SCHEMBL4374212 0.86 MAPKAPK2 (0.80) MAPKAPK2AURKBPDGFRACSNK1G1FYN
SCHEMBL4366470 0.85 MAPKAPK2 (0.82) MAPKAPK2AURKBPDGFRACSNK1G1FYN

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
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO claimed
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed