SCHEMBL5607341

SCHEMBL5607341

Cc1cccc2nc(CCCNc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.50
PIK3R1 P27986 8/20 0.50
PIK3CG P48736 12/20 0.47
PIK3CB P42338 9/20 0.47
PIK3CA P42336 8/20 0.47
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PIK3R2 O00459 1/20 0.41
ABCB11 O95342 1/20 0.41
HTR1A P08908 1/20 0.41
PTGS1 P23219 1/20 0.41
OPRM1 P35372 1/20 0.41
PRKDC P78527 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL5607724 0.97 PIK3CD (0.51) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL5606808 0.95 PIK3CD (0.51) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL5606851 0.91 PIK3CD (0.56) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL5606919 0.90 PIK3CD (0.52) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL5607763 0.90 PIK3CD (0.47) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL5607774 0.90 PIK3CD (0.49) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL2328978 0.90 PIK3CG (0.49) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL3209289 0.89 PIK3CD (0.53) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL5607273 0.88 PIK3CD (0.43) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL5608379 0.87 ALDH1A1 (0.48) 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