SCHEMBL16676830

SCHEMBL16676830

C=C(Nc1cc(C(F)(F)F)ccn1)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 1/20 0.49
KDR P35968 1/20 0.42
CLK2 P49760 1/20 0.42
IRAK1 P51617 1/20 0.42
NEK4 P51957 1/20 0.42
MAP4K2 Q12851 1/20 0.42
HIPK4 Q8NE63 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAP3K20 Q9NYL2 1/20 0.42
STK17A Q9UEE5 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
PHGDH O43175 2/20 0.42
GRM5 P41594 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR3C2 P08235 1/20 0.40
EPAS1 Q99814 1/20 0.40

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
SCHEMBL66426 0.84 RIOK2 (0.55) RIOK2KDRCLK2IRAK1NEK4
SCHEMBL14366953 0.75 ALDH1A1 (0.48) RIOK2KDRCLK2IRAK1NEK4
SCHEMBL15553043 0.74 KDR (0.47) RIOK2KDRCLK2IRAK1NEK4
SCHEMBL1968503 0.73 ALOX15 (0.60) RIOK2GRM5AURKASORT1
SCHEMBL31264157 0.73 ALDH1A1 (0.56) RIOK2KDRCLK2IRAK1NEK4
SCHEMBL2635853 0.73 ALDH1A1 (0.56) RIOK2KDRCLK2IRAK1NEK4
SCHEMBL59392 0.70 GCK (0.47) RIOK2ALDH1A1GAAL3MBTL1NR3C2
SCHEMBL65910 0.70 ALDH1A1 (0.53) RIOK2KDRCLK2IRAK1NEK4
SCHEMBL24220349 0.70 KDR (0.47) RIOK2KDRCLK2IRAK1NEK4
SCHEMBL17895178 0.69 TLR7 (0.60) RIOK2GRM5ALDH1A1EPAS1SORT1

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
WO-2016162265-A1 HERBICIDAL MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2016-10-13 WO disclosed
WO-2015059262-A1 PYRIDINYLIMIDAZOLONES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-04-30 WO disclosed