SCHEMBL30453571

SCHEMBL30453571

CC(Oc1cc(-c2cccc(C(=O)NC3CCN(C)CC3)c2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.55
ALK Q9UM73 7/20 0.52
AXL P30530 2/20 0.51
MERTK Q12866 1/20 0.50
JAK2 O60674 1/20 0.49
ATR Q13535 1/20 0.49

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
SCHEMBL488572 1.00 MET (0.55) METALKAXLMERTKJAK2
SCHEMBL488197 0.95 MET (0.61) METALKAXLJAK2
SCHEMBL30453946 0.95 MET (0.61) METALKAXLJAK2
SCHEMBL30453117 0.92 MET (0.65) METALKAXLMERTKJAK2
SCHEMBL488450 0.92 MET (0.65) METALKAXLMERTKJAK2
SCHEMBL30453654 0.90 MET (0.54) METALKAXLMERTKJAK2
SCHEMBL487905 0.90 MET (0.54) METALKAXLMERTKJAK2
SCHEMBL30454131 0.87 ATR (0.56) METAXLMERTKATR
SCHEMBL488250 0.87 ATR (0.56) METAXLMERTKATR
SCHEMBL488320 0.87 MET (0.72) METALKAXLMERTKJAK2

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