SCHEMBL5607807

SCHEMBL5607807

Nc1nc(NCCc2nc3cccc(F)c3c(=O)n2-c2ccccc2)c2nc[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 15/20 0.44
PIK3CD O00329 14/20 0.44
PIK3CB P42338 13/20 0.44
PIK3CA P42336 11/20 0.44
PIK3R1 P27986 9/20 0.44
PIK3R2 O00459 1/20 0.44
ABCB11 O95342 1/20 0.44
HTR1A P08908 1/20 0.44
PTGS1 P23219 1/20 0.44
OPRM1 P35372 1/20 0.44
PRKDC P78527 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3A Q14432 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.44
NUDT1 P36639 1/20 0.37

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
SCHEMBL5607258 0.92 PIK3CG (0.46) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL7207017 0.90 PIK3CG (0.53) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL5607754 0.90 PIK3CD (0.48) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL5606912 0.90 PIK3CD (0.47) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL5606978 0.90 PIK3CG (0.51) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL5606800 0.86 PIK3CD (0.44) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL5607593 0.86 PIK3CD (0.41) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL5262172 0.85 PDE7A (0.41) PIK3CGPDE4DNUDT1
SCHEMBL5607745 0.85 PIK3CD (0.43) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL5606928 0.85 PIK3CD (0.45) PIK3CD

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 4 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 claimed
WO-2005120511-A1 METHODS FOR TREATING MAST CELL DISORDERS ICOS CORPORATION (US) 2005-12-22 WO claimed
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