SCHEMBL29009702

SCHEMBL29009702

C[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)nc(C2CNCCO2)n1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.74
▸ MTOR P42345 16/20 0.74
▸ RPTOR Q8N122 1/20 0.58
▸ MLST8 Q9BVC4 1/20 0.58
▸ PIK3R1 P27986 7/20 0.55
▸ PIK3CD O00329 1/20 0.53
▸ PIK3CB P42338 1/20 0.53
▸ PIK3CG P48736 1/20 0.53

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
SCHEMBL29009703 0.86 PIK3CA (0.68) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL29880111 0.86 PIK3CA (1.00) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL20692869 0.86 PIK3CA (1.00) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL29009711 0.84 MTOR (0.59) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL18117890 0.82 MTOR (0.89) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL18117884 0.82 MTOR (0.89) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL1311873 0.81 MTOR (1.00) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL1309201 0.81 MTOR (1.00) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL1309198 0.81 MTOR (1.00) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL15805511 0.77 PIK3CA (0.78) PIK3CAMTORRPTORMLST8PIK3R1

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-109414415-B Treatment of skin lesions 拓客股份有限公司 2023-05-02 — — CN claimed
CN-109414415-B Treatment of skin lesions 拓客股份有限公司 2023-05-02 — — CN disclosed
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