SCHEMBL374194

SCHEMBL374194

COc1cc2c(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CC(OC(=O)CNC(=O)OC(C)(C)C)C2(CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.50
AXL P30530 5/20 0.48
KDR P35968 3/20 0.48
RET P07949 2/20 0.48
PDGFRB P09619 2/20 0.48
KIT P10721 2/20 0.48
FLT3 P36888 2/20 0.48
PLK4 O00444 1/20 0.48
STK25 O00506 1/20 0.48
CIT O14578 1/20 0.48
AURKA O14965 1/20 0.48
CHUK O15111 1/20 0.48
MUSK O15146 1/20 0.48
EPHB6 O15197 1/20 0.48
MAPK13 O15264 1/20 0.48
MAP3K13 O43283 1/20 0.48
DAPK3 O43293 1/20 0.48
MAP3K7 O43318 1/20 0.48
RIPK2 O43353 1/20 0.48
JAK2 O60674 1/20 0.48

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
SCHEMBL374073 0.92 MET (0.40) METAXLKDRRETPDGFRB
SCHEMBL374071 0.86 MET (0.55) METAXLKDRRETPDGFRB
SCHEMBL3421924 0.82 MET (0.54) METAXLKDRRETPDGFRB
SCHEMBL411270 0.81 MET (0.63) METAXLKDRRETPDGFRB
SCHEMBL371886 0.81 MET (0.61) METAXLKDRRETPDGFRB
SCHEMBL409723 0.81 MET (0.70) METAXLKDRRETPDGFRB
SCHEMBL371805 0.81 MET (0.70) METAXLKDRRETPDGFRB
SCHEMBL372154 0.81 MET (0.59) METAXLKDRRETPDGFRB
SCHEMBL29885881 0.81 MET (0.70) METAXLKDRRETPDGFRB
Water SCHEMBL2452885 0.80 MET (0.69) METAXLKDRRETPDGFRB

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