SCHEMBL30452622

SCHEMBL30452622

CC(=O)N1CCN(Cc2c[nH]c3ccc(-c4cnc(N)c(OCc5c(F)ccc(F)c5Cl)c4)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.48
JAK2 O60674 1/20 0.40
MAP4K3 Q8IVH8 1/20 0.40
MPO P05164 1/20 0.39
ICMT O60725 1/20 0.39
SOS1 Q07889 5/20 0.38
S1PR1 P21453 1/20 0.37
MAP3K11 Q16584 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL487586 1.00 MET (0.48) METJAK2MAP4K3MPOICMT
SCHEMBL487937 0.89 MET (0.53) METJAK2MAP4K3MPOICMT
SCHEMBL488123 0.89 MET (0.49) METICMTSOS1S1PR1MAP3K11
SCHEMBL30453435 0.89 MET (0.49) METICMTSOS1S1PR1MAP3K11
SCHEMBL487640 0.89 MET (0.52) METJAK2MAP4K3MPOICMT
SCHEMBL487928 0.88 MET (0.40) METMPOICMTSOS1S1PR1
SCHEMBL30453537 0.88 MET (0.40) METMPOICMTSOS1S1PR1
SCHEMBL487675 0.87 MET (0.47) METJAK2MAP4K3MPOS1PR1
SCHEMBL487845 0.85 MET (0.48) METJAK2MAP4K3SOS1S1PR1
SCHEMBL10215218 0.84 MET (0.45) METJAK2MAP4K3MPOICMT

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