SCHEMBL8480736

SCHEMBL8480736

CC(Nc1ncnc(N)c1N)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccn1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.80
PIK3CG P48736 19/20 0.80
PIK3CB P42338 18/20 0.80
PIK3CA P42336 17/20 0.80
CYP2D6 P10635 1/20 0.56
CYP3A4 P08684 3/20 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
SCHEMBL8482524 0.90 PIK3CD (0.66) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL8487556 0.90 PIK3CD (0.66) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL13063153 0.89 PIK3CD (0.71) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL8487756 0.89 PIK3CD (0.68) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL8482342 0.89 PIK3CD (1.00) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL6122147 0.89 PIK3CD (1.00) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL8480215 0.89 PIK3CD (1.00) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL13063170 0.86 PIK3CD (0.80) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL12974289 0.86 PIK3CD (0.70) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6
SCHEMBL2717515 0.83 PIK3CD (1.00) PIK3CDPIK3CGPIK3CBPIK3CACYP2D6

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-2012068343-A1 QUINOLINE DERIVATIVES AS PIK3 INHIBITORS AMGEN INC. (US) 2012-05-24 WO disclosed