SCHEMBL13652148

SCHEMBL13652148

CCC(=O)c1cccc(-c2cc(C(=O)N3CCOCC3)c(C)c3[nH]c4ncc(C)cc4c23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 2/20 0.52
FGFR1 P11362 2/20 0.52
MARK3 P27448 2/20 0.52
FLT3 P36888 2/20 0.52
AURKB Q96GD4 2/20 0.52
MAP4K5 Q9Y4K4 2/20 0.52
CDK9 P50750 2/20 0.52
STK4 Q13043 2/20 0.52
STK3 Q13188 2/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
EPHB6 O15197 1/20 0.52
RPS6KA4 O75676 1/20 0.52
STK16 O75716 1/20 0.52
STK10 O94804 1/20 0.52
ABL1 P00519 1/20 0.52
EGFR P00533 1/20 0.52
NTRK1 P04629 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52

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
SCHEMBL2612682 0.87 CDK9 (0.68) PLK4FGFR1MARK3FLT3AURKB
SCHEMBL646306 0.79 PLK4 (0.71) PLK4FGFR1MARK3FLT3AURKB
SCHEMBL647248 0.79 JAK2 (0.50) PLK4FGFR1MARK3FLT3AURKB
SCHEMBL2125065 0.78 BTK (0.72) PLK4FGFR1MARK3FLT3AURKB
SCHEMBL2612678 0.78 BTK (0.76) PLK4FGFR1MARK3FLT3AURKB
SCHEMBL13803579 0.77 PLK4 (0.73) PLK4FGFR1MARK3FLT3AURKB
SCHEMBL2121951 0.77 ABL1 (0.65) PLK4FGFR1MARK3FLT3AURKB
SCHEMBL2122628 0.76 PLK4 (0.70) PLK4FGFR1MARK3FLT3AURKB
SCHEMBL14547647 0.75 MAP3K11 (0.45) PLK4FGFR1MARK3FLT3AURKB
SCHEMBL648262 0.75 CDK9 (0.67) PLK4FGFR1MARK3FLT3AURKB

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-2009129401-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed