SCHEMBL10147644

SCHEMBL10147644

C[C@H](Nc1ncnc(N)c1N)c1nc2cccc(F)c2cc1C(=O)NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.42
PIK3CB P42338 15/20 0.42
PIK3CG P48736 15/20 0.42
PIK3CA P42336 13/20 0.42
CYP3A4 P08684 4/20 0.42
MAP4K4 O95819 2/20 0.40
MCHR1 Q99705 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1695146 0.90 PIK3CD (0.54) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL14815216 0.90 PIK3CD (0.54) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL10147634 0.88 PIK3CD (0.51) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL10146956 0.87 PIK3CD (0.44) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL10146906 0.79 PIK3CD (0.41) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL10147648 0.78 PIK3CD (0.64) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1695016 0.78 PIK3CD (0.64) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1695469 0.78 PIK3CD (0.56) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL14816042 0.78 PIK3CD (0.56) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL14815228 0.78 PIK3CD (0.64) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4

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