SCHEMBL30452948

SCHEMBL30452948

CCOC(=O)c1cc(C)[nH]c1C=C1C(=O)Nc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.70
ALK Q9UM73 8/20 0.67
RET P07949 5/20 0.67
FGFR1 P11362 5/20 0.67
FLT3 P36888 5/20 0.67
PDGFRB P09619 4/20 0.67
ABL1 P00519 2/20 0.67
FLT1 P17948 5/20 0.63
AURKA O14965 4/20 0.63
CSF1R P07333 3/20 0.63
FGFR3 P22607 3/20 0.63
FLT4 P35916 3/20 0.63
MAP4K2 Q12851 3/20 0.63
STK3 Q13188 3/20 0.63
AURKB Q96GD4 3/20 0.63
SRC P12931 2/20 0.63
MAPK1 P28482 2/20 0.63
ZAP70 P43403 2/20 0.63
PLK4 O00444 2/20 0.63
PDPK1 O15530 2/20 0.63

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
SCHEMBL2113961 1.00 KDR (0.70) KDRALKRETFGFR1FLT3
SCHEMBL2113963 1.00 KDR (0.70) KDRALKRETFGFR1FLT3
SCHEMBL24192106 0.87 PDPK1 (0.67) KDRALKRETFGFR1FLT3
SCHEMBL2114263 0.86 RET (0.65) KDRALKRETFGFR1FLT3
SCHEMBL24192389 0.86 KDR (0.53) KDRALKRETFGFR1FLT3
SCHEMBL30454169 0.86 RET (0.65) KDRALKRETFGFR1FLT3
SCHEMBL2114264 0.86 RET (0.65) KDRALKRETFGFR1FLT3
SCHEMBL2118577 0.85 KDR (0.70) KDRALKRETFGFR1FLT3
SCHEMBL30454095 0.85 KDR (0.70) KDRALKRETFGFR1FLT3
SCHEMBL2118582 0.85 KDR (0.70) KDRALKRETFGFR1FLT3

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed