SCHEMBL29009703

SCHEMBL29009703

C[C@H]1COCCN1c1nc(-c2cnc(N)nc2C(F)(F)F)nc(C2CNCCO2)n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 20/20 0.68
▸ MTOR P42345 20/20 0.68
▸ RPTOR Q8N122 4/20 0.56
▸ MLST8 Q9BVC4 4/20 0.56
▸ PIK3R1 P27986 6/20 0.51
▸ PIK3CG P48736 3/20 0.51
▸ PIK3CD O00329 2/20 0.51
▸ PIK3CB P42338 2/20 0.51
▸ PIK3C3 Q8NEB9 2/20 0.51
▸ PIK3C2B O00750 1/20 0.51
▸ PI4KB Q9UBF8 1/20 0.51
▸ RICTOR Q6R327 3/20 0.50
▸ MAPKAP1 Q9BPZ7 3/20 0.50

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
SCHEMBL29009702 0.86 PIK3CA (0.74) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL29880159 0.85 MTOR (0.90) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL19616562 0.85 MTOR (0.90) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL29009704 0.84 PIK3CA (0.59) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL20692989 0.81 PIK3CA (1.00) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL29879892 0.81 PIK3CA (1.00) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL19629362 0.76 MTOR (0.69) PIK3CAMTORRPTORMLST8PIK3CG
SCHEMBL19631514 0.73 MTOR (0.75) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL19479130 0.72 MTOR (0.69) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL19457633 0.72 MTOR (0.69) PIK3CAMTORPIK3CGPIK3CDPIK3CB

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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