SCHEMBL4362301

SCHEMBL4362301

O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 1.00
AURKB Q96GD4 8/20 1.00
PRKACA P17612 7/20 1.00
GSK3A P49840 7/20 1.00
GSK3B P49841 7/20 1.00
RPS6KA3 P51812 7/20 1.00
ROCK1 Q13464 7/20 1.00
CDC42BPA Q5VT25 7/20 1.00
CSNK1G3 Q9Y6M4 7/20 1.00
CHEK2 O96017 6/20 1.00
PRKG1 Q13976 6/20 1.00
PKN2 Q16513 6/20 1.00
HIPK4 Q8NE63 6/20 1.00
AKT1 P31749 5/20 1.00
CHEK1 O14757 5/20 1.00
MKNK2 Q9HBH9 5/20 1.00
SGK2 Q9HBY8 5/20 1.00
CSNK1G2 P78368 4/20 1.00
CLK4 Q9HAZ1 4/20 1.00
CSNK1G1 Q9HCP0 4/20 1.00

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
SCHEMBL4540504 0.86 GSK3A (0.75) RPS6KB1AURKBPRKACAGSK3AGSK3B
SCHEMBL4366308 0.81 ROCK1 (0.71) RPS6KB1AURKBPRKACAGSK3AGSK3B
SCHEMBL4375983 0.80 MAPKAPK2 (1.00) RPS6KB1AURKBPRKACAGSK3AGSK3B
SCHEMBL4376451 0.78 MAPKAPK2 (0.85) RPS6KB1AURKBPRKACAGSK3AGSK3B
SCHEMBL4914370 0.78 RPS6KB1 (0.64) RPS6KB1AURKBPRKACAGSK3AGSK3B
SCHEMBL4898187 0.77 RPS6KB1 (0.62) RPS6KB1AURKBPRKACAGSK3AGSK3B
SCHEMBL1229781 0.77 RPS6KB1 (0.62) RPS6KB1AURKBPRKACAGSK3AGSK3B
SCHEMBL4370159 0.77 GSK3A (0.69) RPS6KB1AURKBPRKACAGSK3AGSK3B
SCHEMBL7896848 0.77 RPS6KB1 (0.62) RPS6KB1AURKBPRKACAGSK3AGSK3B
SCHEMBL4544025 0.77 MAPKAPK2 (0.68) RPS6KB1AURKBPRKACAGSK3AGSK3B

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