SCHEMBL30453136

SCHEMBL30453136

Nc1ncc(-c2ccc(C=O)cc2)cc1OCc1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 1/20 0.55
MET P08581 4/20 0.54
MAP4K4 O95819 3/20 0.47
PLK1 P53350 2/20 0.41
IDO1 P14902 2/20 0.40
MAOB P27338 2/20 0.40
KIF11 P52732 1/20 0.40
CSF1R P07333 1/20 0.39
PIM1 P11309 1/20 0.39
KDR P35968 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
STK3 Q13188 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
DYRK1A Q13627 1/20 0.39
CAMK1 Q14012 1/20 0.39
PKN2 Q16513 1/20 0.39
HIPK4 Q8NE63 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
SCHEMBL27629997 0.87 MET (0.61) MAP4K3METMAP4K4NEK2PTPN1
SCHEMBL487859 0.86 MAP4K3 (0.58) MAP4K3METMAP4K4PLK1IDO1
SCHEMBL30454707 0.86 MAP4K3 (0.58) MAP4K3METMAP4K4PLK1IDO1
SCHEMBL488215 0.84 MAP4K4 (0.69) MAP4K3METMAP4K4MAOB
SCHEMBL30453475 0.84 MAP4K4 (0.69) MAP4K3METMAP4K4MAOB
SCHEMBL27630255 0.83 MAP4K3 (0.55) MAP4K3METMAP4K4PLK1IDO1
SCHEMBL488094 0.78 MAP4K3 (0.52) MAP4K3METMAP4K4
SCHEMBL27630123 0.77 MET (0.51) MAP4K3METMAP4K4IDO1
SCHEMBL27650234 0.77 MET (0.51) MAP4K3METMAP4K4
SCHEMBL488609 0.77 MAP4K3 (0.52) MAP4K3METMAP4K4PLK1IDO1

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