SCHEMBL30453912

SCHEMBL30453912

Nc1ccc(-c2cnc(N)c(OCc3ccccc3Cl)c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.57
▸ MAP4K3 Q8IVH8 3/20 0.56
▸ INPPL1 O15357 1/20 0.51
▸ MPO P05164 1/20 0.49
▸ MAP4K4 O95819 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ MINK1 Q8N4C8 1/20 0.47
▸ TNIK Q9UKE5 1/20 0.47
▸ PIK3CD O00329 3/20 0.44
▸ CSF1R P07333 1/20 0.42
▸ USP7 Q93009 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ DCPS Q96C86 1/20 0.40
▸ MCL1 Q07820 1/20 0.40

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
SCHEMBL488210 1.00 MET (0.57) METMAP4K3INPPL1MPOMAP4K4
SCHEMBL488082 0.88 MET (0.61) METMAP4K3MPOMAP4K4CSF1R
SCHEMBL27630242 0.87 MET (0.75) METMAP4K3MPOMAP4K4USP7
SCHEMBL30452824 0.87 MET (0.75) METMAP4K3MPOMAP4K4USP7
SCHEMBL487657 0.87 MET (0.75) METMAP4K3MPOMAP4K4USP7
SCHEMBL30454638 0.86 MET (0.77) METMAP4K3INPPL1MPOMAP4K4
SCHEMBL488258 0.86 MET (0.77) METMAP4K3INPPL1MPOMAP4K4
SCHEMBL30454968 0.85 MAP4K3 (0.54) METMAP4K3INPPL1MPOMAP4K4
SCHEMBL488416 0.85 MAP4K3 (0.54) METMAP4K3INPPL1MPOMAP4K4
SCHEMBL488108 0.85 MAP4K3 (0.56) METMAP4K3INPPL1MPOMAP4K4

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
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