SCHEMBL28628229

SCHEMBL28628229

COc1cc(-c2cnc(N)c(OCCc3c(Cl)ccc(F)c3Cl)c2)c(F)cc1P(C)C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
MAP4K3 Q8IVH8 1/20 0.40
ALK Q9UM73 13/20 0.40
FYN P06241 1/20 0.39
MET P08581 4/20 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
SCHEMBL28628304 0.89 MET (0.45) JAK2MAP4K3ALKFYNMET
SCHEMBL28646124 0.85 JAK2 (0.42) JAK2MAP4K3ALKFYNMET
SCHEMBL28632809 0.84 JAK2 (0.42) JAK2MAP4K3ALKFYNMET
SCHEMBL28643793 0.84 MET (0.43) JAK2MAP4K3ALKMET
SCHEMBL28642048 0.83 MET (0.46) JAK2MAP4K3ALKFYNMET
SCHEMBL28035735 0.83 JAK2 (0.47) JAK2MAP4K3ALKFYNMET
SCHEMBL28643808 0.81 MET (0.47) JAK2MAP4K3ALKFYNMET
SCHEMBL28651080 0.79 JAK2 (0.39) JAK2MAP4K3ALKFYNMET
SCHEMBL28036128 0.75 JAK2 (0.47) JAK2MAP4K3ALKMET
SCHEMBL3687014 0.74 MET (0.48) JAK2MAP4K3ALKFYNMET

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