SCHEMBL5607626

SCHEMBL5607626

O=c1c2c(CN3CCOCC3)cccc2nc(CCNc2ncnc3[nH]cnc23)n1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.39
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PIK3CA P42336 6/20 0.37
PIK3CG P48736 6/20 0.37
HDAC8 Q9BY41 5/20 0.37
HDAC6 Q9UBN7 5/20 0.37
PIK3R1 P27986 4/20 0.37
PIK3CB P42338 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC7 Q8WUI4 4/20 0.37
HDAC5 Q9UQL6 4/20 0.37
HDAC11 Q96DB2 4/20 0.37
HDAC4 P56524 3/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL5606975 0.91 PIK3CD (0.44) PIK3CDALDH1A1HIF1AKDM4EGAA
SCHEMBL5607959 0.85 PIK3CD (0.39) PIK3CDALDH1A1PIK3CAPIK3CGPIK3R1
SCHEMBL357085 0.83 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3R1PIK3CB
SCHEMBL5606978 0.82 PIK3CG (0.51) PIK3CDPIK3CAPIK3CGPIK3R1PIK3CB
SCHEMBL14993340 0.82 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGPIK3R1PIK3CB
SCHEMBL5606808 0.82 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGPIK3R1PIK3CB
SCHEMBL5607766 0.80 PIK3CD (0.51) PIK3CDALDH1A1PIK3CAPIK3CGPIK3R1
SCHEMBL5607475 0.80 ALDH1A1 (0.50) PIK3CDALDH1A1MEN1KMT2AKDM4E
SCHEMBL2432095 0.78 PIK3CD (0.41) PIK3CDALDH1A1PIK3CAPIK3CGPIK3R1
SCHEMBL2328978 0.78 PIK3CG (0.49) PIK3CDPIK3CAPIK3CGPIK3R1PIK3CB

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 2 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