SCHEMBL5606852

SCHEMBL5606852

Cc1cccc2nc(CCNc3ncnc4[nH]cnc34)n(-c3cccc(Cl)c3)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.43
PIK3CG P48736 9/20 0.43
PIK3R1 P27986 7/20 0.43
PIK3CB P42338 6/20 0.41
PIK3CA P42336 5/20 0.41
PIK3R2 O00459 1/20 0.38

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
SCHEMBL5607020 0.94 PIK3CG (0.44) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL5607747 0.92 PIK3CD (0.44) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL5606808 0.91 PIK3CD (0.51) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL5607437 0.91 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL5607928 0.90 PIK3CG (0.41) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL5607382 0.90 USP2 (0.44) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL5259223 0.89 PIK3CD (0.41) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL5607075 0.89 PIK3CD (0.41) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL5607473 0.89 PIK3CD (0.41) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL5607757 0.88 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA

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