SCHEMBL680085

SCHEMBL680085

Cc1cc(-c2cc3c(cnn3C)cc2Oc2ccc([N+](=O)[O-])cc2F)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.44
HSPB1 P04792 4/20 0.40
KDR P35968 2/20 0.40
PLK4 O00444 1/20 0.40
NTRK1 P04629 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
MST1R Q04912 1/20 0.40
DDR1 Q08345 1/20 0.40
MERTK Q12866 1/20 0.40
CAMK4 Q16566 1/20 0.40
DDR2 Q16832 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
GLS O94925 1/20 0.36
GRM2 Q14416 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 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
SCHEMBL679247 0.84 CYP11B1 (0.47) S1PR4HSPB1KDRPLK4NTRK1
SCHEMBL23081442 0.84 CCNT1 (0.42) S1PR4HSPB1KDRPLK4NTRK1
SCHEMBL680695 0.84 AXL (0.41) KDRPLK4NTRK1RETMET
SCHEMBL680355 0.83 PLK4 (0.53) S1PR4HSPB1KDRPLK4NTRK1
SCHEMBL680020 0.82 EGFR (0.39) S1PR4HSPB1KDRGRM2CYP11B2
SCHEMBL680514 0.80 PLK4 (0.41) S1PR4HSPB1KDRPLK4NTRK1
SCHEMBL679255 0.80 HSPB1 (0.44) S1PR4HSPB1KDRPLK4NTRK1
SCHEMBL29487166 0.80 HSPB1 (0.44) S1PR4HSPB1KDRPLK4NTRK1
SCHEMBL679474 0.77 ALDH1A1 (0.44) S1PR4HSPB1KDRPLK4NTRK1
SCHEMBL680501 0.77 SCN9A (0.43) S1PR4HSPB1KDRPLK4NTRK1

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
EP-2310382-B1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET LILLY CO ELI (US) 2012-02-22 EP disclosed