SCHEMBL4078050

SCHEMBL4078050

[CH2]CCOc1ccc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncc(Cl)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.37
AURKB Q96GD4 3/20 0.37
NTRK1 P04629 2/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
EPHB6 O15197 1/20 0.37
RPS6KA4 O75676 1/20 0.37
STK16 O75716 1/20 0.37
STK10 O94804 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
YES1 P07947 1/20 0.37
LYN P07948 1/20 0.37
RET P07949 1/20 0.37
HCK P08631 1/20 0.37
PDGFRB P09619 1/20 0.37
BCR P11274 1/20 0.37
FGFR1 P11362 1/20 0.37

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
SCHEMBL3896258 0.90 NTRK1 (0.47) AURKAAURKBNTRK1PLK4CHEK1
SCHEMBL2126092 0.87 AURKB (0.38) AURKAAURKBNTRK1PLK4CHEK1
SCHEMBL2121496 0.87 AURKA (0.43) AURKAAURKBNTRK1PLK4CHEK1
SCHEMBL2123094 0.86 HTR1A (0.43) AURKAAURKBNTRK1PLK4CHEK1
SCHEMBL2122181 0.86 FLT3 (0.38) AURKAAURKBNTRK1PLK4CHEK1
SCHEMBL2121952 0.85 FLT3 (0.37) AURKAAURKBNTRK1PLK4CHEK1
SCHEMBL2122793 0.85 AURKB (0.36) AURKAAURKBNTRK1PLK4CHEK1
SCHEMBL2124813 0.84 FLT3 (0.37) AURKAAURKBNTRK1PLK4CHEK1
SCHEMBL2122096 0.84 AURKA (0.45) AURKAAURKBNTRK1PLK4CHEK1
SCHEMBL13652144 0.84 PLK4 (0.32) AURKAAURKBNTRK1PLK4CHEK1

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
EP-2079696-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-22 EP disclosed
WO-2008054956-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-05-08 WO disclosed