SCHEMBL29693457

SCHEMBL29693457

COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)[C@H](C)[C@@H]4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.73
KIT P10721 7/20 0.73
FLT3 P36888 7/20 0.73
KDR P35968 6/20 0.73
EGFR P00533 5/20 0.73
PDGFRA P16234 5/20 0.73
PDGFRB P09619 4/20 0.73
AXL P30530 4/20 0.73
MST1R Q04912 4/20 0.73
ALK Q9UM73 3/20 0.73
FLT4 P35916 2/20 0.73
PLK4 O00444 2/20 0.73
AURKA O14965 2/20 0.73
RIPK2 O43353 2/20 0.73
STK10 O94804 2/20 0.73
MAP4K4 O95819 2/20 0.73
FYN P06241 2/20 0.73
YES1 P07947 2/20 0.73
LYN P07948 2/20 0.73
SRC P12931 2/20 0.73

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
SCHEMBL372006 1.00 MET (0.73) METKITFLT3KDREGFR
SCHEMBL372005 1.00 MET (0.73) METKITFLT3KDREGFR
SCHEMBL12443865 0.94 MET (0.73) METKITFLT3KDREGFR
SCHEMBL15580161 0.94 MET (0.73) METKITFLT3KDREGFR
SCHEMBL4405592 0.93 MET (0.85) METKITFLT3KDREGFR
SCHEMBL29693456 0.93 MET (0.85) METKITFLT3KDREGFR
SCHEMBL371942 0.93 MET (0.85) METKITFLT3KDREGFR
SCHEMBL19373139 0.93 MET (0.85) METKITFLT3KDREGFR
SCHEMBL29693469 0.93 MET (0.85) METKITFLT3KDREGFR
SCHEMBL372156 0.93 MET (0.85) METKITFLT3KDREGFR

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-3329918-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2022-05-25 EP claimed