SCHEMBL30452768

SCHEMBL30452768

Cc1ccc(Cl)c(C(C)Oc2cc(-c3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)cnc2N)c1F

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.82
MERTK Q12866 3/20 0.46
AXL P30530 3/20 0.45
ALK Q9UM73 3/20 0.44
MAP4K3 Q8IVH8 2/20 0.44
PLK4 O00444 2/20 0.44
AURKA O14965 2/20 0.44
DCLK1 O15075 2/20 0.44
JAK2 O60674 2/20 0.44
PRKD3 O94806 2/20 0.44
ABL1 P00519 2/20 0.44
NTRK1 P04629 2/20 0.44
INSR P06213 2/20 0.44
LCK P06239 2/20 0.44
FES P07332 2/20 0.44
CSF1R P07333 2/20 0.44
LYN P07948 2/20 0.44
RET P07949 2/20 0.44
IGF1R P08069 2/20 0.44
ROS1 P08922 2/20 0.44

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
SCHEMBL488487 1.00 MET (0.82) METMERTKAXLALKMAP4K3
SCHEMBL5256618 0.95 MET (0.86) METMERTKAXLALKMAP4K3
SCHEMBL5256038 0.90 MET (0.83) METMERTKAXLALKMAP4K3
SCHEMBL30452784 0.90 MET (1.00) METMERTKAXLALKMAP4K3
SCHEMBL487888 0.90 MET (1.00) METMERTKAXLALKMAP4K3
SCHEMBL30453513 0.89 MET (0.81) METMERTKAXLJAK2LRRK2
SCHEMBL487881 0.89 MET (0.81) METMERTKAXLJAK2LRRK2
SCHEMBL30453919 0.89 MET (0.83) METMERTKAXLJAK2
SCHEMBL488729 0.89 MET (0.83) METMERTKAXLJAK2
SCHEMBL30454926 0.88 MET (0.73) METMERTKAXL

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