SCHEMBL2054340

SCHEMBL2054340

CC(Nc1ncnc2nc[nH]c12)c1cc(C#N)c2cccnc2c1-c1cccc(F)c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.79
AXL P30530 2/20 0.66
MERTK Q12866 2/20 0.66
PIK3CG P48736 4/20 0.51
PIK3CB P42338 3/20 0.49
PIK3R1 P27986 1/20 0.49
BCL2 P10415 1/20 0.49
PIK3CA P42336 1/20 0.48

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
SCHEMBL2016845 0.88 PIK3CD (0.62) PIK3CDAXLMERTKPIK3CGPIK3CB
SCHEMBL2052623 0.78 PIK3CD (0.61) PIK3CDAXLMERTKPIK3CGPIK3CB
SCHEMBL2014203 0.78 PIK3CD (0.65) PIK3CDAXLMERTKPIK3CGBCL2
SCHEMBL12403852 0.78 PIK3CD (0.65) PIK3CDAXLMERTKPIK3CGBCL2
SCHEMBL12403851 0.78 PIK3CD (0.65) PIK3CDAXLMERTKPIK3CGBCL2
SCHEMBL2014146 0.77 PIK3CD (0.64) PIK3CDAXLMERTKPIK3CGPIK3CB
SCHEMBL12631307 0.77 PIK3CD (0.64) PIK3CDAXLMERTKPIK3CGBCL2
SCHEMBL2013331 0.76 PIK3CD (0.44) PIK3CDAXLMERTKPIK3CGBCL2
SCHEMBL2010635 0.76 PIK3CD (0.44) PIK3CDAXLMERTKBCL2
SCHEMBL2015186 0.76 PIK3CD (0.79) PIK3CDAXLMERTKPIK3CGBCL2

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed