SCHEMBL22149079

SCHEMBL22149079

CN/C(O)=C(\C(C)=N)C(=O)c1ccc2nccc(OCC(F)F)c2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.36
AXL P30530 2/20 0.36
MERTK Q12866 2/20 0.36
IDO1 P14902 10/20 0.35
MAPT P10636 1/20 0.35
GSK3B P49841 1/20 0.35
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DDR2 Q16832 1/20 0.33
LCLAT1 Q6UWP7 2/20 0.33
ACACB O00763 1/20 0.32
RET P07949 1/20 0.32
SRC P12931 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
SCHEMBL22129173 0.79 IDO1 (0.40) METAXLMERTKIDO1MAPT
SCHEMBL22129172 0.78 ALOX15 (0.48) METAXLIDO1MAPTGSK3B
SCHEMBL22149069 0.78 MAPT (0.37) METAXLMERTKIDO1MAPT
SCHEMBL22149303 0.76 IDO1 (0.41) METAXLMERTKIDO1MAPT
SCHEMBL22129170 0.69 JMJD6 (0.36) IDO1MAPTGSK3BCYP3A4RET
SCHEMBL22129178 0.67 JMJD6 (0.39) METIDO1MAPTGSK3BCYP3A4
SCHEMBL22148987 0.67 MGLL (0.41) IDO1CYP3A4
SCHEMBL22148990 0.66 IDO1 (0.35) METAXLMERTKIDO1MAPT
SCHEMBL22149067 0.66 ABCB1 (0.44) IDO1MAPTCYP3A4MAPK1SRC
SCHEMBL26317945 0.64 SLC2A1 (0.51) METKDM4EMAPK1NPSR1DDR2

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
WO-2020124515-A1 QUINOLINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 东莞市东阳光农药研发有限公司 2020-06-25 WO disclosed