SCHEMBL5607601

SCHEMBL5607601

O=c1c2cc(F)ccc2nc(CCNc2ncnc3[nH]cnc23)n1-c1cccc(OC2CCOCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.41
PIK3CG P48736 2/20 0.41
PIK3R1 P27986 2/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
HTR7 P34969 4/20 0.36
TRPV4 Q9HBA0 1/20 0.36
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34

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 0.86 PIK3CD (0.46) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL2323929 0.84 PIK3CD (0.51) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL357232 0.84 PIK3CD (0.57) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL5607707 0.81 PIK3CD (0.51) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL5606945 0.80 PIK3CD (0.52) PIK3CDPIK3CGPIK3C3SMN1; SMN2USP2
SCHEMBL5607282 0.77 PIK3CD (0.41) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL18635777 0.77 PIK3CD (0.52) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL5606800 0.75 PIK3CD (0.44) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL5606274 0.75 PIK3CD (0.44) PIK3CDSMN1; SMN2USP2
SCHEMBL5607437 0.75 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB

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