SCHEMBL30453255

SCHEMBL30453255

Nc1ncc(-c2ccc(O)cc2)cc1OCc1ccc(F)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.65
USP7 Q93009 3/20 0.46
JAK2 O60674 3/20 0.46
FYN P06241 5/20 0.46
MAP4K4 O95819 1/20 0.46
MAP4K3 Q8IVH8 1/20 0.45
TGFBR1 P36897 1/20 0.44
RAB9A P51151 1/20 0.44
CHEK2 O96017 1/20 0.42
INPPL1 O15357 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
PTGER1 P34995 2/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL487782 1.00 MET (0.65) METUSP7JAK2FYNMAP4K4
SCHEMBL30453337 0.89 MET (0.66) METUSP7FYNMAP4K4MAP4K3
SCHEMBL487833 0.89 JAK2 (0.58) METJAK2FYNMAP4K4MAP4K3
SCHEMBL487769 0.89 MET (0.66) METUSP7FYNMAP4K4MAP4K3
SCHEMBL30452968 0.88 MAP4K4 (0.64) METJAK2MAP4K4
SCHEMBL487734 0.88 MAP4K4 (0.64) METJAK2MAP4K4
SCHEMBL27630151 0.86 MET (0.48) METJAK2FYNMAP4K4MAP4K3
SCHEMBL487657 0.85 MET (0.75) METUSP7FYNMAP4K4MAP4K3
SCHEMBL30452824 0.85 MET (0.75) METUSP7FYNMAP4K4MAP4K3
SCHEMBL27630242 0.85 MET (0.75) METUSP7FYNMAP4K4MAP4K3

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