SCHEMBL5607707

SCHEMBL5607707

O=c1c2cc(F)ccc2nc(CCNc2ncnc3[nH]cnc23)n1-c1cc(F)cc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.51
PIK3CG P48736 2/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
PIK3R1 P27986 3/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
HTT P42858 1/20 0.40
TDO2 P48775 2/20 0.36
IDO2 Q6ZQW0 2/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL5607711 0.93 PIK3CD (0.46) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CA
SCHEMBL2323929 0.93 PIK3CD (0.51) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CA
SCHEMBL5606274 0.91 PIK3CD (0.44) PIK3CD
SCHEMBL5606945 0.86 PIK3CD (0.52) PIK3CDPIK3CGPIK3C3
SCHEMBL5607394 0.84 PIK3CD (0.53) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL5607757 0.84 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL5607282 0.84 PIK3CD (0.41) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CA
SCHEMBL18635777 0.84 PIK3CD (0.52) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CA
SCHEMBL5606800 0.82 PIK3CD (0.44) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CA
SCHEMBL5607601 0.81 PIK3CD (0.41) PIK3CDPIK3CGPIK3C3PIK3R1PIK3CA

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