SCHEMBL29693591

SCHEMBL29693591

COc1cc2c(Oc3ccc(NC(=O)C4(C(N)=O)CC4)c(C)c3)ccnc2cc1OCCCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.70
KDR P35968 6/20 0.70
EGFR P00533 5/20 0.62
FLT3 P36888 2/20 0.62
AXL P30530 2/20 0.62
FGFR2 P21802 2/20 0.62
PLK4 O00444 1/20 0.62
STK25 O00506 1/20 0.62
CIT O14578 1/20 0.62
AURKA O14965 1/20 0.62
CHUK O15111 1/20 0.62
MUSK O15146 1/20 0.62
EPHB6 O15197 1/20 0.62
MAPK13 O15264 1/20 0.62
MAP3K13 O43283 1/20 0.62
DAPK3 O43293 1/20 0.62
MAP3K7 O43318 1/20 0.62
RIPK2 O43353 1/20 0.62
JAK2 O60674 1/20 0.62
ROCK2 O75116 1/20 0.62

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
SCHEMBL29693486 0.90 MET (0.87) METKDREGFRFLT3AXL
SCHEMBL371644 0.90 MET (0.87) METKDREGFRFLT3AXL
SCHEMBL20216819 0.84 AXL (0.61) METKDREGFRFLT3AXL
SCHEMBL24444680 0.84 MET (0.88) METKDREGFRFLT3AXL
SCHEMBL19373233 0.83 MET (0.59) METKDREGFRFLT3AXL
SCHEMBL29693422 0.82 MET (1.00) METKDREGFRFLT3AXL
SCHEMBL372070 0.82 MET (1.00) METKDREGFRFLT3AXL
SCHEMBL371645 0.82 MET (0.66) METKDREGFRFLT3AXL
SCHEMBL372072 0.81 MET (0.84) METKDREGFRFLT3AXL
SCHEMBL29693429 0.81 MET (0.84) METKDREGFRFLT3AXL

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 disclosed