SCHEMBL12992154

SCHEMBL12992154

Cc1nc(NC(=O)NCN)sc1-c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.50
PIK3CD O00329 7/20 0.50
PIK3CA P42336 6/20 0.50
PIK3CB P42338 6/20 0.50
PI4KB Q9UBF8 2/20 0.50
XIAP P98170 1/20 0.49
ABL1 P00519 1/20 0.47
ROCK2 O75116 5/20 0.45
ROCK1 Q13464 5/20 0.45
DYRK3 O43781 1/20 0.43
MAP4K4 O95819 1/20 0.43
CLK2 P49760 1/20 0.43
DYRK1A Q13627 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
CLK1 P49759 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL12991289 0.86 PIK3CG (0.54) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL12992306 0.84 ROCK2 (0.56) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL12992057 0.84 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL3842187 0.84 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL12991982 0.84 XIAP (0.49) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL1886754 0.84 PIK3CG (0.53) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL27656677 0.84 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL12991903 0.83 PIK3CG (0.67) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL1890819 0.82 PPID (0.55) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL12991242 0.82 PIK3CG (0.51) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB

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-2010144513-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-16 WO disclosed