SCHEMBL10147624

SCHEMBL10147624

CC(C)NC(=O)c1cc2cccc(Cl)c2nc1CNc1ncnc(N)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3R2 O00459 17/20 0.42
▸ PIK3CD O00329 14/20 0.41
▸ PIK3CG P48736 6/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41

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
SCHEMBL1695420 0.92 PIK3R2 (0.41) PIK3R2PIK3CDPIK3CGCYP3A4PIK3CA
SCHEMBL10146917 0.87 AURKA (0.40) PIK3R2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL10147627 0.84 PTGES (0.39) PIK3R2PIK3CDPIK3CG
SCHEMBL14815737 0.83 PIK3CD (0.53) PIK3R2PIK3CDPIK3CGCYP3A4PIK3CA
SCHEMBL14815738 0.83 PIK3CD (0.53) PIK3R2PIK3CDPIK3CGCYP3A4PIK3CA
SCHEMBL1695242 0.82 PIK3R2 (0.39) PIK3R2PIK3CDPIK3CGCYP3A4PIK3CA
SCHEMBL1694831 0.81 PIK3CD (0.43) PIK3R2PIK3CDPIK3CGCYP3A4PIK3CA
SCHEMBL1695135 0.81 PIK3R2 (0.43) PIK3R2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL1694949 0.79 PIK3R2 (0.39) PIK3R2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL1695343 0.79 PIK3R2 (0.41) PIK3R2PIK3CDPIK3CGPIK3CAPIK3CB

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
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 — — WO disclosed
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