SCHEMBL4731086

SCHEMBL4731086

CC(Oc1cc(-c2cnn(C3CCN(C(=O)O)CC3)c2)cnc1N)c1c(Cl)ccc(O)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 13/20 0.63
▸ JAK2 O60674 8/20 0.63
▸ ALK Q9UM73 8/20 0.63
▸ JAK3 P52333 4/20 0.63
▸ MAP4K3 Q8IVH8 3/20 0.63
▸ JAK1 P23458 3/20 0.63
▸ PLK4 O00444 2/20 0.63
▸ AURKA O14965 2/20 0.63
▸ DCLK1 O15075 2/20 0.63
▸ PRKD3 O94806 2/20 0.63
▸ ABL1 P00519 2/20 0.63
▸ NTRK1 P04629 2/20 0.63
▸ INSR P06213 2/20 0.63
▸ LCK P06239 2/20 0.63
▸ FES P07332 2/20 0.63
▸ CSF1R P07333 2/20 0.63
▸ LYN P07948 2/20 0.63
▸ RET P07949 2/20 0.63
▸ IGF1R P08069 2/20 0.63
▸ ROS1 P08922 2/20 0.63

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
SCHEMBL19718102 0.92 MET (0.76) METJAK2ALKJAK3MAP4K3
SCHEMBL3387217 0.92 MET (0.76) METJAK2ALKJAK3MAP4K3
SCHEMBL3387212 0.87 MET (0.82) METJAK2ALKJAK3MAP4K3
SCHEMBL18656692 0.85 MET (0.85) METJAK2ALKJAK3MAP4K3
SCHEMBL1582052 0.85 MET (0.85) METJAK2ALKJAK3MAP4K3
SCHEMBL1581843 0.85 MET (0.76) METJAK2ALKJAK3MAP4K3
SCHEMBL3422594 0.84 MET (0.75) METJAK2ALKJAK3MAP4K3
SCHEMBL1581764 0.83 MET (0.75) METJAK2ALKJAK3MAP4K3
SCHEMBL1582503 0.83 MET (0.75) METJAK2ALKJAK3MAP4K3
SCHEMBL18561630 0.83 MET (0.70) METJAK2ALKJAK3MAP4K3

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
WO-2008053157-A1 AMINOHETEROARYL COMPOUNDS AS FOR THE TREATMENT OF DISEASES MEDIATED BY C-MET KINASE ACTIVITY CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 — — WO disclosed
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