SCHEMBL5606975

SCHEMBL5606975

Nc1nc(NCCc2nc3cccc(CN4CCOCC4)c3c(=O)n2-c2ccccc2)c2nc[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.44
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TOP2A P11388 1/20 0.37
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 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
SCHEMBL5607626 0.91 PIK3CD (0.39) PIK3CDTOP2AHIF1AKDM4EGAA
SCHEMBL5607143 0.85 MARK3 (0.38) PIK3CDADORA2AHIF1AKDM4EGAA
SCHEMBL356770 0.83 PIK3CD (0.60) PIK3CD
SCHEMBL5606912 0.83 PIK3CD (0.47) PIK3CD
SCHEMBL5607754 0.83 PIK3CD (0.48) PIK3CD
SCHEMBL5607807 0.83 PIK3CG (0.44) PIK3CD
SCHEMBL5260084 0.82 PIK3CD (0.40) PIK3CD
SCHEMBL5607763 0.78 PIK3CD (0.47) PIK3CD
SCHEMBL5607965 0.78 PIK3CD (0.46) PIK3CD
SCHEMBL5606800 0.76 PIK3CD (0.44) 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