SCHEMBL29099520

SCHEMBL29099520

Cc1csc(NC(=O)N2CCCC2C(N)=O)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.59
▸ PIK3CD O00329 11/20 0.59
▸ PIK3CB P42338 9/20 0.59
▸ PIK3CG P48736 7/20 0.59
▸ PIK3C2B O00750 1/20 0.59
▸ POLB P06746 1/20 0.58
▸ TSHR P16473 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL11938412 1.00 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL11938414 0.78 HTT (0.54) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL32670693 0.77 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL13030316 0.77 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL32670771 0.76 PIK3CA (0.79) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL3511252 0.75 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL12700770 0.75 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL14833311 0.75 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL31461158 0.74 KDM4E (0.58) SMN1; SMN2RAB9A
SCHEMBL13030408 0.74 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C2B

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
CN-115611883-B PI3K alpha inhibitor with double-ring structure, and preparation method and application thereof 生物岛实验室 2025-03-28 — — CN disclosed
CN-115611883-A PI3K alpha inhibitor with bicyclic structure and preparation method and application thereof 生物岛实验室 2023-01-17 — — CN disclosed
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