SCHEMBL30453612

SCHEMBL30453612

CN1CCC(NC(=O)c2cccc(-c3cnc(N)c(OCc4c(F)ccc(F)c4Cl)c3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.57
MERTK Q12866 3/20 0.57
MET P08581 6/20 0.52
ATR Q13535 1/20 0.50
BMPR1B O00238 4/20 0.46
BMPR1A P36894 4/20 0.46
ACVRL1 P37023 4/20 0.46
ACVR1 Q04771 4/20 0.46
TGFBR1 P36897 3/20 0.46
ACHE P22303 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
JAK2 O60674 1/20 0.44
MAP4K3 Q8IVH8 1/20 0.44
NTRK1 P04629 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
HTR7 P34969 2/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL487873 1.00 AXL (0.57) AXLMERTKMETATRBMPR1B
SCHEMBL30452905 0.91 MET (0.60) AXLMERTKMETATRBMPR1B
SCHEMBL487528 0.91 MET (0.60) AXLMERTKMETATRBMPR1B
SCHEMBL30453845 0.87 ATR (0.57) AXLMERTKMETATRBMPR1B
SCHEMBL488497 0.87 ATR (0.57) AXLMERTKMETATRBMPR1B
SCHEMBL30453571 0.85 MET (0.55) AXLMERTKMETATRJAK2
SCHEMBL488572 0.85 MET (0.55) AXLMERTKMETATRJAK2
SCHEMBL487934 0.85 MET (0.54) AXLMERTKMETATRBMPR1B
SCHEMBL30453694 0.85 MET (0.54) AXLMERTKMETATRBMPR1B
SCHEMBL488491 0.84 MET (0.48) AXLMERTKMETBMPR1BBMPR1A

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