SCHEMBL20525845

SCHEMBL20525845

COc1ccc2c(Oc3ccc(NC(=O)C(=O)NCCN4CCOCC4)cc3F)ccnc2c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.53
MET P08581 16/20 0.53
INSR P06213 2/20 0.53
KDR P35968 2/20 0.53
MAP4K1 Q92918 2/20 0.53
PLK4 O00444 1/20 0.53
STK25 O00506 1/20 0.53
CIT O14578 1/20 0.53
AURKA O14965 1/20 0.53
CHUK O15111 1/20 0.53
MUSK O15146 1/20 0.53
EPHB6 O15197 1/20 0.53
MAPK13 O15264 1/20 0.53
MAP3K13 O43283 1/20 0.53
DAPK3 O43293 1/20 0.53
MAP3K7 O43318 1/20 0.53
RIPK2 O43353 1/20 0.53
JAK2 O60674 1/20 0.53
ROCK2 O75116 1/20 0.53
PAK3 O75914 1/20 0.53

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
SCHEMBL20525808 0.89 MET (0.48) FLT3METINSRKDRMAP4K1
SCHEMBL371582 0.87 FLT3 (0.68) FLT3METINSRKDRMAP4K1
SCHEMBL20525825 0.87 MET (0.58) FLT3METINSRKDRMAP4K1
SCHEMBL20525826 0.82 MET (0.45) METKDRIGF1RAXL
SCHEMBL20525675 0.81 POLB (0.58) METKDRPDGFRBPDGFRAAXL
SCHEMBL20525748 0.81 MET (0.49) METKDRIGF1R
SCHEMBL20525633 0.80 MET (0.52) METKDRPDGFRBPDGFRAAXL
SCHEMBL20525545 0.80 MET (0.53) METKDRAXL
SCHEMBL2280583 0.79 MET (0.58) FLT3METINSRKDRMAP4K1
SCHEMBL20525760 0.79 MET (0.57) MET

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-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP claimed