SCHEMBL30453866

SCHEMBL30453866

CC(Oc1cc(-c2ccncc2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.71
JAK2 O60674 3/20 0.69
ALK Q9UM73 4/20 0.60

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
SCHEMBL488649 1.00 MET (0.71) METJAK2ALK
SCHEMBL5482898 0.90 MET (0.72) METJAK2ALK
SCHEMBL30453624 0.89 JAK2 (0.69) METJAK2ALK
SCHEMBL488375 0.89 JAK2 (0.69) METJAK2ALK
SCHEMBL488360 0.88 JAK2 (0.88) METJAK2ALK
SCHEMBL30453123 0.88 JAK2 (0.88) METJAK2ALK
SCHEMBL27630256 0.88 MET (0.70) METJAK2ALK
SCHEMBL488367 0.86 MET (0.68) METJAK2ALK
SCHEMBL30453362 0.86 MET (0.68) METJAK2ALK
SCHEMBL488206 0.84 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