SCHEMBL30452923

SCHEMBL30452923

Nc1ncc(-c2cccc(N3CCCC3)c2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.53
JAK2 O60674 5/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
MAP4K3 Q8IVH8 1/20 0.48
ACVR1 Q04771 2/20 0.43
TGFBR1 P36897 1/20 0.43
DHFR P00374 3/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
RIPK2 O43353 1/20 0.39
NOD2 Q9HC29 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL487738 1.00 MET (0.53) METJAK2JAK1TYK2JAK3
SCHEMBL5480975 0.85 MET (0.53) METJAK2MAP4K3ALK
SCHEMBL487679 0.82 MET (0.57) METJAK2MAP4K3ALK
SCHEMBL27630082 0.79 FYN (0.50) METJAK2MAP4K3ALK
SCHEMBL27650146 0.78 MET (0.60) METJAK2MAP4K3
SCHEMBL5482786 0.78 MET (0.50) METJAK2MAP4K3AXLALK
SCHEMBL30453168 0.78 JAK2 (0.60) METJAK2MAP4K3
SCHEMBL487842 0.78 JAK2 (0.60) METJAK2MAP4K3
SCHEMBL488121 0.78 MAP4K4 (0.54) METJAK2MAP4K3
SCHEMBL30453459 0.78 MAP4K4 (0.54) METJAK2MAP4K3

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