SCHEMBL30453556

SCHEMBL30453556

Nc1ncc(-c2ccncc2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.77
SMN1; SMN2 Q16637 1/20 0.52
MAP4K4 O95819 1/20 0.45
MPO P05164 1/20 0.45
MAP4K3 Q8IVH8 5/20 0.42
JAK2 O60674 3/20 0.42
CSF1R P07333 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 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
SCHEMBL487739 1.00 MET (0.77) METSMN1; SMN2MAP4K4MPOMAP4K3
SCHEMBL487907 0.89 MET (0.81) METMAP4K4MPOMAP4K3JAK2
Water SCHEMBL28121971 0.88 MET (0.79) METMAP4K4MPOMAP4K3JAK2
SCHEMBL487777 0.88 MET (0.83) METSMN1; SMN2MAP4K4MPOMAP4K3
SCHEMBL488667 0.87 MET (0.70) METSMN1; SMN2MAP4K4MPOMAP4K3
SCHEMBL30452701 0.87 MET (0.70) METSMN1; SMN2MAP4K4MPOMAP4K3
SCHEMBL487830 0.87 MET (1.00) METMAP4K4MPOMAP4K3
SCHEMBL488323 0.87 MET (0.73) METSMN1; SMN2MAP4K4MPOMAP4K3
SCHEMBL30453987 0.87 MET (1.00) METMAP4K4MPOMAP4K3
SCHEMBL6364739 0.86 MET (0.75) METSMN1; SMN2MAP4K4MPOMAP4K3

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