SCHEMBL374073

SCHEMBL374073

CC(C)(C)OC(=O)NCC(=O)OC1CN(CCCOc2ccc3c(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)ccnc3c2)CC12CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.40
AXL P30530 4/20 0.39
KDR P35968 3/20 0.39
PLK4 O00444 1/20 0.39
STK25 O00506 1/20 0.39
CIT O14578 1/20 0.39
AURKA O14965 1/20 0.39
CHUK O15111 1/20 0.39
MUSK O15146 1/20 0.39
EPHB6 O15197 1/20 0.39
MAPK13 O15264 1/20 0.39
MAP3K13 O43283 1/20 0.39
DAPK3 O43293 1/20 0.39
MAP3K7 O43318 1/20 0.39
RIPK2 O43353 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PAK3 O75914 1/20 0.39
CDKL5 O76039 1/20 0.39
STK10 O94804 1/20 0.39

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
SCHEMBL374194 0.92 MET (0.50) METAXLKDRPLK4STK25
SCHEMBL373947 0.85 MET (0.42) METAXLKDRPLK4STK25
SCHEMBL3418984 0.81 AXL (0.42) METAXLKDRPLK4STK25
SCHEMBL374071 0.78 MET (0.55) METAXLKDRPLK4STK25
SCHEMBL11914231 0.77 MET (0.57) METAXLKDRPLK4STK25
Hydrochloric Acid SCHEMBL377110 0.76 MET (0.39) METAXLKDRPLK4STK25
SCHEMBL3421924 0.74 MET (0.54) METAXLKDRPLK4STK25
SCHEMBL374249 0.73 AXL (0.42) METAXLKDRAURKARIPK2
SCHEMBL411270 0.72 MET (0.63) METAXLKDRPLK4STK25
SCHEMBL371886 0.72 MET (0.61) METAXLKDRPLK4STK25

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408300-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE Sunshine Lake Pharma Co., Ltd (CN) 2012-01-25 EP disclosed
WO-2010111063-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE XI NING (US) 2010-09-30 WO disclosed