SCHEMBL30453731

SCHEMBL30453731

Nc1ncc(-c2cccc(C(=O)N3CC[C@@H](N)C3)c2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.56
JAK2 O60674 1/20 0.45
MAP4K3 Q8IVH8 1/20 0.45
BMPR1B O00238 2/20 0.41
BMPR1A P36894 2/20 0.41
TGFBR1 P36897 2/20 0.41
ACVRL1 P37023 2/20 0.41
ACVR1 Q04771 2/20 0.41
KCNH2 Q12809 1/20 0.41
KDM1A O60341 1/20 0.40
AXL P30530 2/20 0.39
MERTK Q12866 2/20 0.39

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
SCHEMBL30453464 1.00 MET (0.56) METJAK2MAP4K3BMPR1BBMPR1A
SCHEMBL487691 1.00 MET (0.56) METJAK2MAP4K3BMPR1BBMPR1A
SCHEMBL487971 1.00 MET (0.56) METJAK2MAP4K3BMPR1BBMPR1A
SCHEMBL30453422 0.95 MET (0.57) METJAK2MAP4K3BMPR1BBMPR1A
SCHEMBL487685 0.95 MET (0.57) METJAK2MAP4K3BMPR1BBMPR1A
SCHEMBL30452806 0.91 MET (0.66) METJAK2MAP4K3KCNH2KDM1A
SCHEMBL488021 0.91 MET (0.66) METJAK2MAP4K3KCNH2KDM1A
SCHEMBL487983 0.91 MET (0.66) METJAK2MAP4K3KCNH2KDM1A
SCHEMBL30452989 0.91 MET (0.66) METJAK2MAP4K3KCNH2KDM1A
SCHEMBL10316727 0.91 MET (0.66) METJAK2MAP4K3KCNH2KDM1A

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