SCHEMBL30452650

SCHEMBL30452650

CC(Oc1cc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.64
KCNH2 Q12809 3/20 0.55
MAP4K2 Q12851 1/20 0.53
MAP3K1 Q13233 1/20 0.53
AAK1 Q2M2I8 1/20 0.53
Q6ZSR9 Q6ZSR9 1/20 0.53
MAP4K5 Q9Y4K4 1/20 0.53
ALK Q9UM73 2/20 0.51
JAK2 O60674 1/20 0.51
BMPR1B O00238 2/20 0.49
BMPR1A P36894 2/20 0.49
ACVRL1 P37023 2/20 0.49
ACVR1 Q04771 2/20 0.49
TGFBR1 P36897 1/20 0.49
AXL P30530 1/20 0.48

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
SCHEMBL488074 1.00 MET (0.64) METKCNH2MAP4K2MAP3K1AAK1
SCHEMBL30454591 0.92 MET (0.55) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL488260 0.92 MET (0.55) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL30452512 0.89 MET (0.78) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL487718 0.89 MET (0.78) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL488823 0.87 MET (0.66) METKCNH2ALKJAK2
SCHEMBL487965 0.87 MET (0.66) METKCNH2ALKJAK2
SCHEMBL487967 0.87 MET (0.66) METKCNH2ALKJAK2
SCHEMBL30453007 0.87 MET (0.70) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL488134 0.87 MET (0.70) METMAP4K2MAP3K1AAK1Q6ZSR9

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