SCHEMBL3901249

SCHEMBL3901249

CC[C@@H](C)Oc1ccc(-c2cccc(S(=O)(=O)CC)c2)c2c1[nH]c1ncc(C)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 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
YES1 P07947 1/20 0.52
LYN P07948 1/20 0.52
RET P07949 1/20 0.52
HCK P08631 1/20 0.52
PDGFRB P09619 1/20 0.52
BCR P11274 1/20 0.52
FGFR1 P11362 1/20 0.52
SRC P12931 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
SCHEMBL3889872 1.00 PLK4 (0.52) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL644167 0.93 PLK4 (0.52) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL645980 0.93 PLK4 (0.52) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL644168 0.93 PLK4 (0.52) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL4087993 0.93 PLK4 (0.53) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL3957630 0.92 PLK4 (0.51) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL3888784 0.92 PLK4 (0.51) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL4301233 0.92 PLK4 (0.51) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL645356 0.90 PLK4 (0.53) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL646527 0.90 BTK (0.50) PLK4CHEK1AURKAEPHB6RPS6KA4

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 claimed
WO-2009129401-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 WO disclosed