SCHEMBL13652159

SCHEMBL13652159

Cc1cnc2[nH]c3c(OC[C@@H]4CCCNC4)ccc(-c4cccc(S(=O)(=O)C5CC5)c4)c3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
EPHB6 O15197 1/20 0.43
RPS6KA4 O75676 1/20 0.43
STK16 O75716 1/20 0.43
STK10 O94804 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
YES1 P07947 1/20 0.43
LYN P07948 1/20 0.43
RET P07949 1/20 0.43
HCK P08631 1/20 0.43
PDGFRB P09619 1/20 0.43
BCR P11274 1/20 0.43
FGFR1 P11362 1/20 0.43

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
SCHEMBL646643 0.89 IRAK4 (0.53) IRAK4PLK4CHEK1AURKAEPHB6
SCHEMBL646472 0.89 IRAK4 (0.53) IRAK4PLK4CHEK1AURKAEPHB6
SCHEMBL646473 0.89 IRAK4 (0.53) IRAK4PLK4CHEK1AURKAEPHB6
SCHEMBL13652165 0.87 SRC (0.49) IRAK4PLK4CHEK1AURKAEPHB6
SCHEMBL3889856 0.87 EPHA2 (0.43) IRAK4PLK4CHEK1AURKAEPHB6
SCHEMBL3889861 0.87 EPHA2 (0.43) IRAK4PLK4CHEK1AURKAEPHB6
SCHEMBL3891658 0.87 EPHA2 (0.43) IRAK4PLK4CHEK1AURKAEPHB6
SCHEMBL13652164 0.87 PLK4 (0.48) IRAK4PLK4CHEK1AURKAEPHB6
SCHEMBL645298 0.86 EGFR (0.54) IRAK4PLK4CHEK1AURKAEPHB6
SCHEMBL3891706 0.84 CDK9 (0.48) IRAK4PLK4CHEK1AURKAEPHB6

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 1 patent. 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