SCHEMBL732730

SCHEMBL732730

Nc1ncnc2c1ncn2Cc1nc2cc(F)c(Br)cc2c(=O)n1-c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.55
PIK3R1 P27986 3/20 0.55
PIK3CB P42338 2/20 0.55
PIK3CG P48736 2/20 0.55
PI4KA P42356 2/20 0.44
PI4K2B Q8TCG2 2/20 0.44
PI4K2A Q9BTU6 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
ADORA2A P29274 1/20 0.44
NSD2 O96028 2/20 0.42
NSD3 Q9BZ95 2/20 0.42
EGFR P00533 1/20 0.39
PIK3CA P42336 1/20 0.38

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
SCHEMBL733295 0.87 PIK3CD (0.57) PIK3CDPIK3R1PIK3CBPIK3CGPI4KA
SCHEMBL734302 0.87 PIK3CD (0.57) PIK3CDPIK3R1PIK3CBPIK3CGPI4KA
SCHEMBL733947 0.85 PIK3CD (0.59) PIK3CDPIK3R1PIK3CBPIK3CGPI4KA
SCHEMBL733231 0.84 PIK3CD (0.58) PIK3CDPIK3R1PIK3CBPIK3CGPI4KA
SCHEMBL733199 0.83 PIK3CD (0.70) PIK3CDPIK3R1PIK3CBPIK3CGPI4KA
SCHEMBL733067 0.81 PIK3CD (0.60) PIK3CDPIK3R1PIK3CBPIK3CGPI4KA
SCHEMBL733097 0.81 PIK3CD (0.70) PIK3CDPIK3R1PIK3CBPIK3CGPI4KA
SCHEMBL733839 0.81 PIK3CD (0.75) PIK3CDPIK3R1PIK3CBPIK3CGPI4KA
SCHEMBL1426323 0.79 PIK3CD (0.58) PIK3CDPIK3R1PIK3CBPIK3CGPI4KA
SCHEMBL734208 0.78 PIK3CD (0.88) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA

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-8138195-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-03-20 US claimed