SCHEMBL29547397

SCHEMBL29547397

Cn1c2ccncc2c2ccc(-c3cnc(OC4CC(O)C4)c(C#N)c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.38
PIK3CA P42336 4/20 0.38
PIK3CB P42338 4/20 0.38
PIK3CG P48736 4/20 0.38
ACACB O00763 4/20 0.36
TBK1 Q9UHD2 1/20 0.36
SCN9A Q15858 1/20 0.34
ELANE P08246 1/20 0.34
KCNH2 Q12809 1/20 0.33
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL27098055 1.00 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGACACB
SCHEMBL27136221 1.00 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGACACB
SCHEMBL27098057 0.85 PIK3CD (0.34) PIK3CDPIK3CAPIK3CBPIK3CGACACB
SCHEMBL27139547 0.85 ACACB (0.39) PIK3CDPIK3CAPIK3CBPIK3CGACACB
SCHEMBL29547656 0.85 ACACB (0.39) PIK3CDPIK3CAPIK3CBPIK3CGACACB
SCHEMBL27098053 0.85 ACACB (0.39) PIK3CDPIK3CAPIK3CBPIK3CGACACB
SCHEMBL20129074 0.83 GRIN2B (0.35) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL20120826 0.82 TDO2 (0.38) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20120825 0.82 TDO2 (0.38) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29547432 0.82 TDO2 (0.38) PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954801-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-05-09 CN disclosed
CN-114867727-B TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-02-21 CN disclosed
CN-114867727-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2022-08-05 CN disclosed
EP-3999182-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2022-05-25 EP disclosed