SCHEMBL30453694

SCHEMBL30453694

CN1CCN(C(=O)c2cccc(-c3cnc(N)c(OCc4c(F)ccc(F)c4Cl)c3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.54
FYN P06241 1/20 0.53
AXL P30530 1/20 0.48
MERTK Q12866 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ERN1 O75460 2/20 0.47
ATR Q13535 1/20 0.46
PIK3CD O00329 4/20 0.45
PIK3CA P42336 4/20 0.45
KCNH2 Q12809 4/20 0.45
PIK3CB P42338 3/20 0.45
PIK3CG P48736 3/20 0.45
NTRK1 P04629 1/20 0.44
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44

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
SCHEMBL487934 1.00 MET (0.54) METFYNAXLMERTKNPC1
SCHEMBL487853 0.91 MET (0.64) METKCNH2BMPR1BBMPR1ATGFBR1
SCHEMBL30454525 0.91 MET (0.64) METKCNH2BMPR1BBMPR1ATGFBR1
SCHEMBL30453422 0.89 MET (0.57) METFYNAXLMERTKNTRK1
SCHEMBL487685 0.89 MET (0.57) METFYNAXLMERTKNTRK1
SCHEMBL30452813 0.86 MET (0.58) METAXLMERTKATRBMPR1B
SCHEMBL488047 0.86 MET (0.58) METAXLMERTKATRBMPR1B
SCHEMBL487971 0.86 MET (0.56) METAXLMERTKKCNH2BMPR1B
SCHEMBL488222 0.86 MET (0.58) METFYNAXLMERTKNPC1
SCHEMBL10215391 0.86 MET (0.58) METFYNAXLMERTKNPC1

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