SCHEMBL16417991

SCHEMBL16417991

Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(C(C)(C)CF)c1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.82
▸ PIK3CB P42338 6/20 0.60
▸ PIK3CD O00329 4/20 0.57
▸ PIK3CG P48736 3/20 0.57
▸ GAK O14976 1/20 0.56
▸ PRKACG P22612 1/20 0.56
▸ PIK3R1 P27986 1/20 0.56
▸ MTOR P42345 1/20 0.56
▸ PI4KB Q9UBF8 1/20 0.56

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
SCHEMBL13781852 0.90 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL31719680 0.85 PIK3CA (0.89) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL13806166 0.85 PIK3CA (0.89) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL13781945 0.84 PIK3CA (0.77) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL13782176 0.83 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL13782204 0.83 PIK3CA (0.73) PIK3CAPIK3CB
SCHEMBL13782337 0.83 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL13781900 0.82 PIK3CA (0.80) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL13782064 0.82 PIK3CA (1.00) PIK3CAPIK3CB
SCHEMBL13782065 0.82 PIK3CA (0.73) PIK3CAPIK3CB

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
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 — — US disclosed
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