SCHEMBL30453490

SCHEMBL30453490

CC(Oc1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cnc1N)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.72
MERTK Q12866 3/20 0.46
AXL P30530 2/20 0.46
ALK Q9UM73 1/20 0.44
ATR Q13535 1/20 0.42
KCNH2 Q12809 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL488428 1.00 MET (0.72) METMERTKAXLALKATR
SCHEMBL30453919 0.90 MET (0.83) METMERTKAXL
SCHEMBL488729 0.90 MET (0.83) METMERTKAXL
SCHEMBL10217522 0.89 MET (0.66) METMERTKAXLALKATR
SCHEMBL30452907 0.88 MET (0.68) METMERTKAXLALKATR
SCHEMBL488638 0.88 MET (0.68) METMERTKAXLALKATR
SCHEMBL5485033 0.87 MET (0.74) METMERTKAXLALKKCNH2
SCHEMBL10216184 0.87 MET (0.79) METMERTKAXLATRKDM4E
SCHEMBL488118 0.86 MET (0.91) METMERTKAXLALKKCNH2
SCHEMBL30453588 0.86 MET (0.91) METMERTKAXLALKKCNH2

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