SCHEMBL30453656

SCHEMBL30453656

CC(Oc1cc(-c2ccc(C(=O)N3CC[C@H](N)C3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.79
JAK2 O60674 3/20 0.58
ALK Q9UM73 6/20 0.57
MAP4K3 Q8IVH8 2/20 0.56
PLK4 O00444 2/20 0.56
AURKA O14965 2/20 0.56
DCLK1 O15075 2/20 0.56
PRKD3 O94806 2/20 0.56
ABL1 P00519 2/20 0.56
NTRK1 P04629 2/20 0.56
INSR P06213 2/20 0.56
LCK P06239 2/20 0.56
FES P07332 2/20 0.56
CSF1R P07333 2/20 0.56
LYN P07948 2/20 0.56
RET P07949 2/20 0.56
IGF1R P08069 2/20 0.56
ROS1 P08922 2/20 0.56
SRC P12931 2/20 0.56
FER P16591 2/20 0.56

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
SCHEMBL487761 1.00 MET (0.79) METJAK2ALKMAP4K3PLK4
SCHEMBL487763 1.00 MET (0.79) METJAK2ALKMAP4K3PLK4
SCHEMBL30454058 1.00 MET (0.79) METJAK2ALKMAP4K3PLK4
SCHEMBL488096 1.00 MET (0.79) METJAK2ALKMAP4K3PLK4
SCHEMBL30453564 0.95 MET (0.84) METJAK2ALKMAP4K3PLK4
SCHEMBL488370 0.95 MET (0.84) METJAK2ALKMAP4K3PLK4
SCHEMBL30453423 0.95 MET (0.72) METJAK2ALKMAP4K3PLK4
SCHEMBL30453486 0.95 MET (0.72) METJAK2ALKMAP4K3PLK4
SCHEMBL488048 0.95 MET (0.72) METJAK2ALKMAP4K3PLK4
SCHEMBL488489 0.95 MET (0.72) METJAK2ALKMAP4K3PLK4

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