SCHEMBL12424237

SCHEMBL12424237

C=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ncnc4[nH]c(C(=O)NCCN5CCOCC5)cc34)c(F)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.63
KDR P35968 14/20 0.63
PLK4 O00444 1/20 0.51
STK25 O00506 1/20 0.51
CIT O14578 1/20 0.51
AURKA O14965 1/20 0.51
CHUK O15111 1/20 0.51
MUSK O15146 1/20 0.51
EPHB6 O15197 1/20 0.51
MAPK13 O15264 1/20 0.51
MAP3K13 O43283 1/20 0.51
DAPK3 O43293 1/20 0.51
MAP3K7 O43318 1/20 0.51
RIPK2 O43353 1/20 0.51
JAK2 O60674 1/20 0.51
ROCK2 O75116 1/20 0.51
PAK3 O75914 1/20 0.51
CDKL5 O76039 1/20 0.51
STK10 O94804 1/20 0.51
PRKD3 O94806 1/20 0.51

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
SCHEMBL1790130 0.95 MET (0.69) METKDRPLK4STK25CIT
SCHEMBL14748585 0.82 MET (0.56) METKDRPLK4STK25CIT
SCHEMBL1790131 0.81 MET (0.49) METKDRPLK4STK25CIT
SCHEMBL30498610 0.79 MET (0.61) METKDRPLK4STK25CIT
SCHEMBL30498615 0.79 MET (0.61) METKDRPLK4STK25CIT
SCHEMBL10108314 0.79 MET (0.61) METKDRPLK4STK25CIT
SCHEMBL12424217 0.77 MET (0.62) METKDRPLK4STK25CIT
SCHEMBL12411691 0.76 EPHX2 (0.51) METKDRAURKAFLT1FLT4
SCHEMBL13548249 0.76 MET (0.49) METKDRPLK4STK25CIT
SCHEMBL14742487 0.76 MET (0.55) METKDRPLK4STK25CIT

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
US-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 US disclosed