SCHEMBL31637616

SCHEMBL31637616

COC(=O)c1ccc2nc(NC(=O)Nc3cccc(C#N)c3)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.59
▸ PIK3CB P42338 1/20 0.59
▸ PIK3CG P48736 1/20 0.59
▸ PI4KB Q9UBF8 1/20 0.59
▸ HTT P42858 3/20 0.57
▸ NPC1 O15118 7/20 0.56
▸ RAB9A P51151 7/20 0.56
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ HSP90AA1 P07900 1/20 0.55
▸ SCD O00767 1/20 0.55
▸ DYRK1A Q13627 3/20 0.54
▸ DYRK1B Q9Y463 2/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ MAPT P10636 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ POLB P06746 3/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54

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
SCHEMBL21568136 0.91 NPC1 (0.62) NPC1RAB9ASMN1; SMN2DYRK1ADYRK1B
SCHEMBL31637674 0.89 HSD17B10 (0.61) HTTNPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL23256883 0.87 DYRK1A (0.66) HTTNPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL21568149 0.87 DYRK1A (0.53) HTTNPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL21568128 0.87 RAB9A (0.73) HTTNPC1RAB9ASMN1; SMN2SCD
SCHEMBL21568324 0.85 DYRK1A (0.58) HTTNPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL21568954 0.85 DYRK1A (0.66) PIK3CGNPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL23256872 0.83 HSD17B10 (0.61) HTTNPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL21568062 0.83 DYRK1A (0.58) HTTNPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL23256882 0.83 DYRK1A (0.58) HTTNPC1RAB9ASMN1; SMN2DYRK1A

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
WO-2025136887-A1 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE THE TRUSTEES OF INDIANA UNIVERSITY (US) 2025-06-26 — — WO disclosed
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