SCHEMBL30454968

SCHEMBL30454968

Nc1ncc(-c2cccnc2)cc1OCc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 2/20 0.54
JAK2 O60674 2/20 0.53
MET P08581 2/20 0.52
SGMS2 Q8NHU3 2/20 0.47
MPO P05164 1/20 0.45
LRRK2 Q5S007 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
MAP4K4 O95819 1/20 0.43
SGMS1 Q86VZ5 1/20 0.43
P2RX7 Q99572 1/20 0.42
INPPL1 O15357 1/20 0.41
CYP2A6 P11509 1/20 0.41
FYN P06241 1/20 0.41
CHEK2 O96017 1/20 0.41

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
SCHEMBL488416 1.00 MAP4K3 (0.54) MAP4K3JAK2METSGMS2MPO
SCHEMBL488082 0.89 MET (0.61) MAP4K3JAK2METMPOMAP4K4
SCHEMBL488108 0.88 MAP4K3 (0.56) MAP4K3JAK2METMPOMAP4K4
SCHEMBL488667 0.86 MET (0.70) MAP4K3JAK2METSGMS2MPO
SCHEMBL30452701 0.86 MET (0.70) MAP4K3JAK2METSGMS2MPO
SCHEMBL488210 0.85 MET (0.57) MAP4K3METMPOMAP4K4INPPL1
SCHEMBL30453912 0.85 MET (0.57) MAP4K3METMPOMAP4K4INPPL1
SCHEMBL487657 0.82 MET (0.75) MAP4K3METMPOMAPTMAP4K4
SCHEMBL30452824 0.82 MET (0.75) MAP4K3METMPOMAPTMAP4K4
SCHEMBL27630242 0.82 MET (0.75) MAP4K3METMPOMAPTMAP4K4

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