SCHEMBL9628989

SCHEMBL9628989

O=C(NC(=O)c1c(F)cccc1F)Nc1cc(C(F)(F)F)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
IDH2 P48735 1/20 0.48
GRM5 P41594 1/20 0.47
RIOK2 Q9BVS4 1/20 0.46
IL2 P60568 2/20 0.46
NR3C2 P08235 1/20 0.46
MET P08581 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDR P35968 1/20 0.45
CLK2 P49760 1/20 0.45
IRAK1 P51617 1/20 0.45
NEK4 P51957 1/20 0.45
MAP4K2 Q12851 1/20 0.45
HIPK4 Q8NE63 1/20 0.45
SRPK1 Q96SB4 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
MAP3K20 Q9NYL2 1/20 0.45
STK17A Q9UEE5 1/20 0.45

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
SCHEMBL9629747 0.81 GAA (0.53) GAAIL2METMEN1KMT2A
SCHEMBL11100265 0.81 HCRTR1 (0.61) GAAMETMEN1KMT2AHCRTR1
SCHEMBL30499684 0.79 MAPT (0.62) GAAMEN1KMT2AKDRNPSR1
SCHEMBL7607258 0.79 MAPT (0.62) GAAMEN1KMT2AKDRNPSR1
SCHEMBL11435335 0.79 RAB9A (0.64) GAAMEN1KMT2ANPSR1CYP1A2
SCHEMBL29128686 0.79 KDR (0.50) GAAIDH2GRM5RIOK2NR3C2
SCHEMBL352658 0.78 MEN1 (0.54) GAAIL2MEN1KMT2AALOX15
SCHEMBL30362400 0.78 TRPV1 (0.57) GAAGRM5RIOK2MEN1KMT2A
SCHEMBL29608194 0.78 MEN1 (0.54) GAAIL2MEN1KMT2AALOX15
SCHEMBL15904287 0.77 TSHR (0.62) GRM5MEN1KMT2AALOX15TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0228846-B1 AMINO-TRIFLUOROMETHYLPYRIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-04-22 EP disclosed
US-4762928-A PESTICIDES, MEDICINES ISHIHARA SANGYO KAISHA LTD. (JP) 1988-08-09 US disclosed
EP-0228846-A1 Amino-trifluoromethylpyridine compound and process for preparing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-07-15 EP disclosed