SCHEMBL30795692

SCHEMBL30795692

Cc1cc(N2CCOCC2)nc(C)c1NC(=O)Cc1ccsc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 10/20 0.52
▸ WNT3A P56704 1/20 0.47
▸ PIK3CD O00329 5/20 0.45
▸ PIK3CB P42338 5/20 0.45
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ GBA1 P04062 1/20 0.42

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
SCHEMBL971573 1.00 AKT1 (0.52) AKT1WNT3APIK3CDPIK3CBPOLB
SCHEMBL970919 0.85 WNT3A (0.52) AKT1WNT3APIK3CDPIK3CBPOLB
SCHEMBL30795411 0.85 SMN1; SMN2 (0.55) AKT1WNT3APIK3CDPIK3CBKMT2A
SCHEMBL30795276 0.85 WNT3A (0.52) AKT1WNT3APIK3CDPIK3CBPOLB
SCHEMBL971254 0.85 SMN1; SMN2 (0.55) AKT1WNT3APIK3CDPIK3CBKMT2A
SCHEMBL30794865 0.85 WNT3A (0.50) AKT1WNT3APIK3CDPIK3CBMAPT
SCHEMBL973838 0.85 WNT3A (0.50) AKT1WNT3APIK3CDPIK3CBMAPT
SCHEMBL30795258 0.84 WNT3A (0.46) AKT1WNT3APIK3CDPIK3CBPIK3CA
SCHEMBL969865 0.84 WNT3A (0.46) AKT1WNT3APIK3CDPIK3CBPIK3CA
SCHEMBL968661 0.84 AKT1 (0.52) AKT1WNT3APIK3CDPIK3CBPOLB

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-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 — — EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
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