SCHEMBL5607199

SCHEMBL5607199

COc1cccc2nc(C(S)c3ncnc4[nH]cnc34)n(OC)c(=O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.35
PIK3CG P48736 11/20 0.35
PIK3CB P42338 9/20 0.35
PIK3R1 P27986 8/20 0.35
PIK3CA P42336 8/20 0.35
ABL1 P00519 1/20 0.35
RAD52 P43351 1/20 0.35
RIN1 Q13671 1/20 0.35
PIK3R2 O00459 2/20 0.35
ELANE P08246 1/20 0.33
ABCB11 O95342 1/20 0.33
HTR1A P08908 1/20 0.33
PTGS1 P23219 1/20 0.33
OPRM1 P35372 1/20 0.33
PRKDC P78527 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3A Q14432 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL732814 0.84 PIK3CD (0.42) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL735272 0.84 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL734097 0.81 PIK3CG (0.51) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL732766 0.80 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL735268 0.78 L3MBTL1 (0.47) PIK3CD
SCHEMBL5607192 0.75 PIK3CG (0.51) PIK3CDPIK3CGPIK3CBABL1RAD52
SCHEMBL735150 0.73 PIK3CD (0.48) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL735283 0.73 PIK3CD (0.44) PIK3CDPIK3CGPIK3CBPIK3R1PIK3CA
SCHEMBL734721 0.73 SMN1; SMN2 (0.51) PIK3CD
SCHEMBL735101 0.73 LMNA (0.46) PIK3CDKCNH2

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
EP-1750715-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2007-02-14 EP disclosed
WO-2005120511-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2005-12-22 WO disclosed