SCHEMBL28538508

SCHEMBL28538508

Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C2(C)CC2)c1.Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C2CCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.71
▸ PIK3CD O00329 17/20 0.71
▸ PIK3CG P48736 15/20 0.71
▸ PIK3CB P42338 14/20 0.71
▸ PI4KB Q9UBF8 2/20 0.62
▸ GAK O14976 1/20 0.62
▸ PRKACG P22612 1/20 0.62
▸ PIK3R1 P27986 1/20 0.62
▸ MTOR P42345 1/20 0.62
▸ PIK3C2B O00750 1/20 0.54

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
SCHEMBL11938366 0.94 PIK3CA (0.79) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL11938365 0.92 PIK3CA (0.75) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL11938367 0.92 PIK3CA (0.78) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL11938363 0.90 PIK3CA (0.77) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL11938402 0.88 PIK3CA (0.71) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL28529212 0.87 PIK3CA (0.66) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL11938399 0.86 PIK3CA (0.75) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL11938381 0.84 PIK3CA (0.77) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL11938376 0.83 PIK3CA (0.75) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL13457883 0.82 PIK3CA (0.95) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112472699-A Combination methods for improving the therapeutic benefit of bisantrene and derivatives 种族肿瘤学公司 2021-03-12 — — CN disclosed
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