SCHEMBL30452993

SCHEMBL30452993

COc1c(F)cccc1C(C)Oc1cc(Br)cnc1N

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.55
JAK2 O60674 11/20 0.44
ALK Q9UM73 6/20 0.44
JAK1 P23458 3/20 0.40
TYK2 P29597 3/20 0.40
JAK3 P52333 3/20 0.40

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
SCHEMBL488060 1.00 MET (0.55) METJAK2ALKJAK1TYK2
SCHEMBL26916966 0.87 MET (0.60) METJAK2ALKJAK1TYK2
SCHEMBL26916970 0.87 MET (0.60) METJAK2ALKJAK1TYK2
SCHEMBL30453715 0.86 MET (0.69) METJAK2ALKJAK1TYK2
SCHEMBL488617 0.86 MET (0.69) METJAK2ALKJAK1TYK2
SCHEMBL15273909 0.85 MET (0.56) METJAK2ALKJAK1TYK2
SCHEMBL26916840 0.83 MET (0.52) METJAK2ALKJAK1TYK2
SCHEMBL26916845 0.83 MET (0.52) METJAK2ALKJAK1TYK2
SCHEMBL29857933 0.83 MET (0.68) METJAK2ALK
SCHEMBL26916852 0.83 MET (0.68) 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