SCHEMBL30453773

SCHEMBL30453773

CC(Oc1nc(-c2cccc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.67
MAP4K3 Q8IVH8 3/20 0.56
ALK Q9UM73 5/20 0.44
INSR P06213 2/20 0.44
NPM1 P06748 2/20 0.44
CHEK2 O96017 1/20 0.44
JAK2 O60674 2/20 0.43
NUDT1 P36639 1/20 0.43
BMPR1B O00238 1/20 0.43
PLK4 O00444 1/20 0.43
RIOK3 O14730 1/20 0.43
IKBKB O14920 1/20 0.43
CASK O14936 1/20 0.43
AURKA O14965 1/20 0.43
DCLK1 O15075 1/20 0.43
MUSK O15146 1/20 0.43
EPHB6 O15197 1/20 0.43
INPPL1 O15357 1/20 0.43
MLNR O43193 1/20 0.43
MAP3K13 O43283 1/20 0.43

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
SCHEMBL488338 1.00 MET (0.67) METMAP4K3ALKINSRNPM1
SCHEMBL488646 0.95 MET (0.60) METMAP4K3ALKINSRNPM1
SCHEMBL30453954 0.95 MET (0.60) METMAP4K3ALKINSRNPM1
SCHEMBL30454746 0.92 MET (0.74) METMAP4K3ALKINSRNPM1
SCHEMBL488862 0.92 MET (0.74) METMAP4K3ALKINSRNPM1
SCHEMBL488230 0.92 MET (0.54) METMAP4K3CHEK2JAK2
SCHEMBL30453628 0.92 MET (0.54) METMAP4K3CHEK2JAK2
SCHEMBL10216324 0.87 MET (0.55) METMAP4K3ALKINSRNPM1
SCHEMBL10216321 0.87 MET (0.55) METMAP4K3ALKINSRNPM1
SCHEMBL30453463 0.87 MET (0.63) METMAP4K3ALKMAP4K2MAP3K1

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