SCHEMBL30452645

SCHEMBL30452645

CC(Oc1cc(-c2cccc(C(=O)NCCN3CCCC3)c2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.71
ATR Q13535 2/20 0.51
MAP4K4 O95819 1/20 0.49
JAK2 O60674 1/20 0.46
FYN P06241 1/20 0.46
ERN1 O75460 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
PDE4B Q07343 1/20 0.45
IKBKB O14920 1/20 0.45
ALK Q9UM73 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
GRK5 P34947 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
SCHEMBL488314 1.00 MET (0.71) METATRMAP4K4JAK2FYN
SCHEMBL488344 0.95 MET (0.65) METATRMAP4K4JAK2FYN
SCHEMBL30453431 0.95 MET (0.65) METATRMAP4K4JAK2FYN
SCHEMBL488067 0.93 MET (0.62) METMAP4K4ERN1ADORA2AADORA2B
SCHEMBL30453726 0.93 MET (0.62) METMAP4K4ERN1ADORA2AADORA2B
SCHEMBL30452893 0.93 MET (0.81) METATRJAK2
SCHEMBL488700 0.93 MET (0.81) METATRJAK2
SCHEMBL488308 0.92 MET (0.61) METATRMAP4K4JAK2FYN
SCHEMBL487752 0.92 MET (0.85) METJAK2ALK
SCHEMBL30453645 0.92 MET (0.85) METJAK2ALK

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