SCHEMBL2017686

SCHEMBL2017686

CC(Nc1ncnc2c1ncn2OC(=O)CCCCC(=O)On1cnc2c(NC(C)c3cc(Cl)c4ccnnc4c3-c3cccc(F)c3)ncnc21)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.58
BCL2 P10415 1/20 0.58
AXL P30530 2/20 0.38
MERTK Q12866 2/20 0.38
SOS1 Q07889 2/20 0.34
PIK3CG P48736 3/20 0.33
MAP4K4 O95819 1/20 0.32
PDPK1 O15530 1/20 0.31
RPS6KB1 P23443 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CB P42338 1/20 0.31
FDPS P14324 1/20 0.30

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
SCHEMBL2164726 1.00 PIK3CD (0.58) PIK3CDBCL2AXLMERTKSOS1
SCHEMBL2165865 0.81 PIK3CD (0.47) PIK3CDBCL2SOS1
Adipic Acid SCHEMBL2163627 0.80 PIK3CD (0.68) PIK3CDBCL2AXLMERTKPIK3CG
Adipic Acid SCHEMBL2017684 0.80 PIK3CD (0.68) PIK3CDBCL2AXLMERTKPIK3CG
SCHEMBL31405546 0.77 PIK3CD (0.79) PIK3CDBCL2AXLMERTKPIK3CG
SCHEMBL2014247 0.77 PIK3CD (0.79) PIK3CDBCL2AXLMERTKPIK3CG
SCHEMBL2163350 0.77 PIK3CD (0.79) PIK3CDBCL2AXLMERTKPIK3CG
SCHEMBL30194068 0.77 PIK3CD (0.79) PIK3CDBCL2AXLMERTKPIK3CG
SCHEMBL2038100 0.77 PIK3CD (0.41) PIK3CDBCL2RPS6KB1
SCHEMBL2164179 0.76 PIK3CD (0.41) PIK3CDBCL2SOS1PDPK1RPS6KB1

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