SCHEMBL2712347

SCHEMBL2712347

COc1cccc(-c2ncc(Br)cc2[N+](=O)[O-])c1.COc1cccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.64
PIK3CA P42336 17/20 0.45
PIK3CB P42338 3/20 0.38
PIK3CG P48736 2/20 0.38
PIK3R1 P27986 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL2712661 0.94 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2712404 0.91 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2713104 0.89 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2712339 0.84 PIK3CD (0.84) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2711303 0.84 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2712580 0.84 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2713259 0.83 PIK3CD (0.54) PIK3CDPIK3CALMNAMAPTPKM
SCHEMBL2713550 0.82 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2711075 0.82 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2711867 0.81 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1

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
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed