SCHEMBL30454187

SCHEMBL30454187

CC(Oc1cc(-c2ccc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)cc2)cnc1N)c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.76
KCNH2 Q12809 5/20 0.47
JAK2 O60674 6/20 0.46
ALK Q9UM73 3/20 0.42
MAP4K3 Q8IVH8 2/20 0.42
PLK4 O00444 2/20 0.42
AURKA O14965 2/20 0.42
DCLK1 O15075 2/20 0.42
PRKD3 O94806 2/20 0.42
ABL1 P00519 2/20 0.42
NTRK1 P04629 2/20 0.42
INSR P06213 2/20 0.42
LCK P06239 2/20 0.42
FES P07332 2/20 0.42
CSF1R P07333 2/20 0.42
LYN P07948 2/20 0.42
RET P07949 2/20 0.42
IGF1R P08069 2/20 0.42
ROS1 P08922 2/20 0.42
SRC P12931 2/20 0.42

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
SCHEMBL488408 1.00 MET (0.76) METKCNH2JAK2ALKMAP4K3
SCHEMBL488597 0.90 MET (0.81) METKCNH2JAK2ALKMAP4K3
SCHEMBL30453482 0.90 MET (0.81) METKCNH2JAK2ALKMAP4K3
SCHEMBL5930693 0.88 MET (0.85) METKCNH2JAK2ALKMAP4K3
SCHEMBL30453657 0.86 MET (0.64) METKCNH2JAK2HTR2ASLC6A4
SCHEMBL30453276 0.86 MET (1.00) METKCNH2JAK2ALKMAP4K3
SCHEMBL488307 0.86 MET (0.64) METKCNH2JAK2HTR2ASLC6A4
SCHEMBL488336 0.86 MET (1.00) METKCNH2JAK2ALKMAP4K3
SCHEMBL30454334 0.86 MET (1.00) METKCNH2JAK2ALKMAP4K3
SCHEMBL10215068 0.86 MET (0.64) METKCNH2JAK2HTR2ASLC6A4

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed