SCHEMBL30454746

SCHEMBL30454746

CC(Oc1nc(-c2ccc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.74
MAP4K3 Q8IVH8 1/20 0.58
CHEK2 O96017 1/20 0.47
MAP4K2 Q12851 1/20 0.44
MAP3K1 Q13233 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
Q6ZSR9 Q6ZSR9 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44
JAK2 O60674 1/20 0.44
INSR P06213 1/20 0.44
NPM1 P06748 1/20 0.44
ALK Q9UM73 1/20 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
SCHEMBL488862 1.00 MET (0.74) METMAP4K3CHEK2MAP4K2MAP3K1
SCHEMBL30453582 0.95 MET (0.67) METMAP4K3CHEK2
SCHEMBL10216337 0.95 MET (0.67) METMAP4K3CHEK2
SCHEMBL30453773 0.92 MET (0.67) METMAP4K3CHEK2MAP4K2MAP3K1
SCHEMBL488338 0.92 MET (0.67) METMAP4K3CHEK2MAP4K2MAP3K1
SCHEMBL30453966 0.90 MET (0.58) METMAP4K3CHEK2JAK2
SCHEMBL488797 0.90 MET (0.58) METMAP4K3CHEK2JAK2
SCHEMBL1900138 0.89 MAP4K3 (0.62) METMAP4K3CHEK2MAP4K2MAP3K1
SCHEMBL3243135 0.89 MAP4K3 (0.62) METMAP4K3CHEK2MAP4K2MAP3K1
SCHEMBL488646 0.87 MET (0.60) METMAP4K3CHEK2INSRNPM1

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