SCHEMBL8899124

SCHEMBL8899124

CC(=O)n1ncc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
CSNK1A1 P48729 1/20 0.38
GSK3A P49840 1/20 0.38
LIMK1 P53667 1/20 0.38
IKBKE Q14164 1/20 0.38
MAPK14 Q16539 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL8897764 0.73 TRPA1 (0.37)
SCHEMBL20356744 0.72 NOTUM (0.36)
SCHEMBL9423295 0.72 POLB (0.32)
SCHEMBL10695876 0.71 BCAT1 (0.34)
SCHEMBL10695874 0.71 BCAT1 (0.34)
SCHEMBL7668488 0.71 AR (0.33)
SCHEMBL8694397 0.71 KMT2A (0.36)
SCHEMBL8914465 0.70 BCAT1 (0.37)
SCHEMBL10576855 0.70 BCAT1 (0.34)
SCHEMBL8695644 0.70 ALDH1A1 (0.32)

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-1997012884-A1 HERBICIDAL 6-HETEROCYCLIC INDAZOLE DERIVATIVES FMC CORPORATION (US) 1997-04-10 WO disclosed