SCHEMBL28549342

SCHEMBL28549342

COc1ccc(-c2cc(Nc3cc(C)n[nH]3)nc(S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.48
▸ SLC2A1 P11166 1/20 0.46
▸ ADORA3 P0DMS8 2/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ TNIK Q9UKE5 1/20 0.43
▸ IDO1 P14902 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 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
SCHEMBL28557357 0.89 AURKB (0.49) ADORA3ADORA2ATNIKMAPTAURKA
SCHEMBL28570362 0.87 RET (0.43) ACHEADORA3ADORA2AMAPTTP53
SCHEMBL28022063 0.86 SMN1; SMN2 (0.42) MAPTTP53AURKAAURKBLMNA
SCHEMBL28021607 0.86 SLC2A1 (0.44) ACHESLC2A1TNIKIDO1MAPT
SCHEMBL28556178 0.82 AURKA (0.39) MAPTTP53AURKAAURKBPOLB
SCHEMBL2204695 0.82 AURKB (0.60) SLC2A1ADORA3ADORA2ATNIKMAPT
SCHEMBL28022078 0.81 PKM (0.44) MAPTAURKAAURKBLMNAPOLB
SCHEMBL28021591 0.80 AURKB (0.51) ADORA3ADORA2AMAPTGSK3BAURKA
SCHEMBL28548957 0.80 ADORA1 (0.44) ADORA3ADORA2AMAPTAURKAAURKB
SCHEMBL28022048 0.79 AURKA (0.46) MAPTAURKAAURKBPOLBKDM4E

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-112755193-A Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof 德玛医药 2021-05-07 — — CN disclosed
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