SCHEMBL30453624

SCHEMBL30453624

CC(Oc1cc(-c2cncnc2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.69
MET P08581 12/20 0.68
ALK Q9UM73 3/20 0.60
INPPL1 O15357 2/20 0.56

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
SCHEMBL488375 1.00 JAK2 (0.69) JAK2METALKINPPL1
SCHEMBL5255394 0.93 JAK2 (0.79) JAK2METALKINPPL1
SCHEMBL488649 0.89 MET (0.71) JAK2METALK
SCHEMBL30453866 0.89 MET (0.71) JAK2METALK
SCHEMBL30453123 0.88 JAK2 (0.88) JAK2METALK
SCHEMBL488360 0.88 JAK2 (0.88) JAK2METALK
SCHEMBL5482898 0.87 MET (0.72) JAK2METALK
SCHEMBL30453362 0.86 MET (0.68) JAK2METALKINPPL1
SCHEMBL488367 0.86 MET (0.68) JAK2METALKINPPL1
SCHEMBL27630256 0.85 MET (0.70) JAK2METALK

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