Sugi Predict

Sugi Predict / Compounds / SCHEMBL30452907

SCHEMBL30452907

SCHEMBL30452907

CC(Oc1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cnc1N)c1cccc(F)c1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.68
▸ MERTK Q12866 3/20 0.46
▸ AXL P30530 2/20 0.46
▸ ATR Q13535 1/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ ALK Q9UM73 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

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
SCHEMBL488638 1.00 MET (0.68) METMERTKAXLATRKCNH2
SCHEMBL10217522 0.89 MET (0.66) METMERTKAXLATRALK
SCHEMBL488428 0.88 MET (0.72) METMERTKAXLATRKCNH2
SCHEMBL30453490 0.88 MET (0.72) METMERTKAXLATRKCNH2
SCHEMBL30453581 0.88 KCNH2 (0.55) METKCNH2
SCHEMBL488565 0.88 KCNH2 (0.55) METKCNH2
SCHEMBL30453919 0.85 MET (0.83) METMERTKAXL
SCHEMBL488729 0.85 MET (0.83) METMERTKAXL
SCHEMBL10270841 0.84 MET (0.66) METKCNH2ALK
SCHEMBL30454737 0.84 MET (0.57) METMERTKAXLATRALK

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