SCHEMBL28645868

SCHEMBL28645868

CP(C)(=O)OCc1ccc(-c2cnc(N)c(OCCc3c(Cl)ccc(F)c3Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.46
JAK2 O60674 2/20 0.44
MAP4K3 Q8IVH8 1/20 0.44
MAP4K4 O95819 1/20 0.40
ALK Q9UM73 4/20 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
SCHEMBL3687014 0.84 MET (0.48) METJAK2MAP4K3MAP4K4ALK
SCHEMBL12004389 0.84 MET (0.44) METJAK2MAP4K3ALK
SCHEMBL28924806 0.81 JAK2 (0.44) METJAK2MAP4K3ALK
SCHEMBL12004028 0.81 MET (0.68) METJAK2ALK
SCHEMBL28643808 0.81 MET (0.47) METJAK2MAP4K3ALK
SCHEMBL28035735 0.79 JAK2 (0.47) METJAK2MAP4K3ALK
SCHEMBL28642048 0.77 MET (0.46) METJAK2MAP4K3ALK
SCHEMBL28036128 0.77 JAK2 (0.47) METJAK2MAP4K3ALK
SCHEMBL28628304 0.76 MET (0.45) METJAK2MAP4K3ALK
SCHEMBL28515206 0.76 JAK2 (0.62) 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-106659765-B Use of dianhydrogalactitol and analogs or derivatives thereof for treating non-small cell lung cancer and ovarian cancer 德玛医药 2021-08-13 CN disclosed