SCHEMBL8745946

SCHEMBL8745946

CCNC(=O)OC(c1cnccn1)c1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
NOTUM Q6P988 1/20 0.38
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

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
SCHEMBL8745913 0.88 NOTUM (0.36) KDM4EKMT2ANOTUMDYRK3PRKD3
SCHEMBL8745932 0.87 NOTUM (0.36) KDM4EKMT2ANOTUMDYRK3PRKD3
SCHEMBL8745975 0.86 GAA (0.36) KDM4EKMT2ANOTUMDYRK3PRKD3
SCHEMBL8745912 0.84 NOTUM (0.40) KDM4EKMT2ANOTUMPOLBMAPK1
SCHEMBL8745948 0.84 POLB (0.39) KDM4EKMT2APOLBMAPK1SMN1; SMN2
SCHEMBL8745957 0.84 SMN1; SMN2 (0.36) KDM4EKMT2APOLBMAPK1SMN1; SMN2
SCHEMBL8745919 0.84 HPGD (0.41) KDM4EKMT2APOLBSMN1; SMN2MEN1
SCHEMBL9028568 0.82 SCN9A (0.37) KDM4EKMT2ANOTUMPOLBMAPK1
SCHEMBL8745954 0.81 KDM4E (0.39) KDM4EKMT2APOLBMAPK1CNR2
SCHEMBL8745915 0.80 CYP3A4 (0.39) KDM4EKMT2APOLBMAPK1CNR2

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