SCHEMBL8745975

SCHEMBL8745975

CC(C)(C)NC(=O)OC(c1cnccn1)c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
FLT4 P35916 1/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
LIMK1 P53667 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CDK5 Q00535 1/20 0.36
STK3 Q13188 1/20 0.36
DYRK1A Q13627 1/20 0.36
BRSK1 Q8TDC3 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
STK17A Q9UEE5 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL8745946 0.86 KDM4E (0.39) DYRK3PRKD3MAP4K4CDK1CDK2
SCHEMBL8745913 0.82 NOTUM (0.36) DYRK3PRKD3MAP4K4CDK1CDK2
SCHEMBL8745932 0.81 NOTUM (0.36) GAADYRK3PRKD3MAP4K4CDK1
SCHEMBL9270522 0.77 MGLL (0.39) KMT2A
SCHEMBL8745920 0.72 PIEZO1 (0.38) GAADYRK3PRKD3MAP4K4CDK1
SCHEMBL8745960 0.70 SMN1; SMN2 (0.37) GAANOTUMKDM4EKMT2ASGMS2
SCHEMBL9028582 0.70 SCN9A (0.40) NOTUMSCN9ACNR2POLBSLC22A12
SCHEMBL8745912 0.70 NOTUM (0.40) GAANOTUMKDM4EKMT2ALMNA
SCHEMBL8745948 0.70 POLB (0.39) GAAKDM4EKMT2ASGMS2LMNA
SCHEMBL8745957 0.69 SMN1; SMN2 (0.36) GAAKDM4EKMT2ALMNAPOLB

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
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed