SCHEMBL30454081

SCHEMBL30454081

CC(Oc1nc(-c2cccc(C(=O)NCCN3CCOCC3)c2)cnc1N)c1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.54
MET P08581 3/20 0.52
CHEK2 O96017 1/20 0.52
ATR Q13535 2/20 0.51
GRK5 P34947 1/20 0.49
PIK3CD O00329 1/20 0.49
PIK3CG P48736 1/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
PDE4B Q07343 1/20 0.47
MAPK8 P45983 2/20 0.46
MAPK10 P53779 2/20 0.46
CAMK2D Q13557 1/20 0.46
ERN1 O75460 1/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
HPGDS O60760 1/20 0.45

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
SCHEMBL488889 1.00 MAP4K4 (0.54) MAP4K4METCHEK2ATRGRK5
SCHEMBL30454540 0.93 MET (0.60) MAP4K4METCHEK2ATRHPGDS
SCHEMBL488149 0.93 MET (0.60) MAP4K4METCHEK2ATRHPGDS
SCHEMBL488359 0.93 ATR (0.59) MAP4K4METCHEK2ATRADORA2A
SCHEMBL30453791 0.93 ATR (0.59) MAP4K4METCHEK2ATRADORA2A
SCHEMBL30452825 0.92 MET (0.60) MAP4K4METCHEK2ATRGRK5
SCHEMBL487974 0.92 MET (0.60) MAP4K4METCHEK2ATRGRK5
SCHEMBL488825 0.91 MET (0.54) MAP4K4METCHEK2ATRGRK5
SCHEMBL30453544 0.91 MET (0.54) MAP4K4METCHEK2ATRGRK5
SCHEMBL488242 0.90 MET (0.52) MAP4K4METCHEK2ATRGRK5

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