SCHEMBL30453401

SCHEMBL30453401

Nc1ncc(-c2ccc(NS(=O)(=O)CCN3CCOCC3)cc2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.53
MAP4K4 O95819 1/20 0.46
ALK Q9UM73 3/20 0.44
JAK2 O60674 1/20 0.41
MAP4K3 Q8IVH8 1/20 0.41
CYP2C9 P11712 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.38
BRD4 O60885 1/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38

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
SCHEMBL487986 1.00 MET (0.53) METMAP4K4ALKJAK2MAP4K3
SCHEMBL30452597 0.93 MET (0.57) METMAP4K4JAK2MAP4K3
SCHEMBL488126 0.93 MET (0.57) METMAP4K4JAK2MAP4K3
SCHEMBL488519 0.92 MET (0.56) METMAP4K4JAK2MAP4K3
SCHEMBL30453320 0.92 MET (0.56) METMAP4K4JAK2MAP4K3
SCHEMBL30452682 0.92 MET (0.51) METMAP4K4ALKJAK2MAP4K3
SCHEMBL487741 0.92 MET (0.51) METMAP4K4ALKJAK2MAP4K3
SCHEMBL488277 0.89 MET (0.54) METJAK2MAP4K3
SCHEMBL30452637 0.89 MET (0.54) METJAK2MAP4K3
SCHEMBL30452585 0.88 MET (0.51) METMAP4K4JAK2MAP4K3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4599890-A2 SUNITINIB FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2025-08-13 EP disclosed
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