SCHEMBL28792115

SCHEMBL28792115

O=[N+]([O-])c1ccc(Oc2cc3cnn(C4CO4)c3cc2-c2cn[nH]c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.41
NTRK1 P04629 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
AXL P30530 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
MST1R Q04912 1/20 0.41
DDR1 Q08345 1/20 0.41
MERTK Q12866 1/20 0.41
CAMK4 Q16566 1/20 0.41
DDR2 Q16832 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
SCN9A Q15858 11/20 0.37
HSPB1 P04792 4/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL680305 0.91 PLK4 (0.39) PLK4NTRK1RETMETAXL
SCHEMBL680355 0.84 PLK4 (0.53) PLK4NTRK1RETMETAXL
SCHEMBL679314 0.79 RXRA (0.38) SCN9AHSPB1ALDH1A1MAPTMAPK1
SCHEMBL679898 0.79 RXRA (0.38) PLK4NTRK1RETMETAXL
SCHEMBL680423 0.79 EGFR (0.39) KDRSCN9AHSPB1MAPTMAPK1
SCHEMBL680923 0.78 CYP11B1 (0.40) METSCN9AHSPB1ALDH1A1MAPT
SCHEMBL680965 0.77 RXRA (0.40) PLK4NTRK1RETMETAXL
SCHEMBL680130 0.77 ATR (0.38) SCN9A
SCHEMBL680020 0.76 EGFR (0.39) KDRSCN9AHSPB1
SCHEMBL680764 0.76 RXRA (0.40) SCN9AHSPB1ALDH1A1MAPTMAPK1

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-102105462-A Amidophenoxyindazoles useful as inhibitors of C-MET LILLY CO ELI 2011-06-22 CN disclosed