SCHEMBL12558183

SCHEMBL12558183

CCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.66
KDR P35968 7/20 0.66
AXL P30530 2/20 0.66
FLT3 P36888 2/20 0.66
NTRK1 P04629 1/20 0.66
KIT P10721 1/20 0.66
NTRK2 Q16620 1/20 0.66
MST1R Q04912 14/20 0.61
PLK4 O00444 1/20 0.61
MAP4K4 O95819 1/20 0.61
ABL1 P00519 1/20 0.61
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
LYN P07948 1/20 0.61
HCK P08631 1/20 0.61
PDGFRB P09619 1/20 0.61
BCR P11274 1/20 0.61
SRC P12931 1/20 0.61
ABL2 P42684 1/20 0.61
FRK P42685 1/20 0.61

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
SCHEMBL12557947 0.96 MET (0.64) METKDRAXLFLT3NTRK1
SCHEMBL2539359 0.94 MET (0.64) METKDRAXLFLT3NTRK1
SCHEMBL1478899 0.93 MET (0.76) METKDRAXLFLT3NTRK1
SCHEMBL12558429 0.93 MET (0.61) METKDRAXLFLT3NTRK1
Hydrochloric Acid SCHEMBL1479074 0.92 MET (0.75) METKDRAXLFLT3NTRK1
SCHEMBL2539405 0.92 MET (0.63) METKDRAXLFLT3NTRK1
SCHEMBL1479321 0.92 MET (0.70) METKDRAXLFLT3NTRK1
SCHEMBL1479292 0.91 MET (0.61) METKDRAXLFLT3NTRK1
SCHEMBL1479435 0.91 MET (0.70) METKDRAXLFLT3NTRK1
SCHEMBL1478448 0.91 MET (0.70) METKDRAXLFLT3NTRK1

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-2332536-A1 Inhibitors of protein tyrosine kinase activity MethylGene Inc. (CA) 2011-06-15 EP disclosed