SCHEMBL30454591

SCHEMBL30454591

CC(Oc1cc(-c2cccc(C(=O)N3CCN(C)CC3)c2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.55
FYN P06241 1/20 0.55
ALK Q9UM73 6/20 0.51
JAK2 O60674 2/20 0.50
MAP4K2 Q12851 1/20 0.49
MAP3K1 Q13233 1/20 0.49
AAK1 Q2M2I8 1/20 0.49
Q6ZSR9 Q6ZSR9 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
AXL P30530 1/20 0.48
ATR Q13535 1/20 0.47

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
SCHEMBL488260 1.00 MET (0.55) METFYNALKJAK2MAP4K2
SCHEMBL30452650 0.92 MET (0.64) METALKJAK2MAP4K2MAP3K1
SCHEMBL488074 0.92 MET (0.64) METALKJAK2MAP4K2MAP3K1
SCHEMBL30454742 0.91 MET (0.65) METALKJAK2MAP4K2MAP3K1
SCHEMBL488271 0.91 MET (0.65) METALKJAK2MAP4K2MAP3K1
SCHEMBL488518 0.89 MET (0.59) METFYNALKJAK2MAP4K2
SCHEMBL30453559 0.89 MET (0.59) METFYNALKJAK2MAP4K2
SCHEMBL488579 0.87 MET (0.57) METALKJAK2
SCHEMBL488346 0.87 MET (0.57) METALKJAK2
SCHEMBL488387 0.87 MET (0.57) METALKJAK2

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