SCHEMBL806264

SCHEMBL806264

Cn1c(C(=O)NCc2ccc(O)c(O)c2)nc2c(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)ncnc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.75
PIK3R1 P27986 2/20 0.75
PDE2A O00408 1/20 0.45
PDE4A P27815 1/20 0.45
PIK3CA P42336 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE1C Q14123 1/20 0.45
PDE3A Q14432 1/20 0.45
PDE10A Q9Y233 1/20 0.45
PLD2 O14939 14/20 0.44
PLD1 Q13393 12/20 0.44
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
AKT1 P31749 1/20 0.42

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
SCHEMBL795275 0.89 PIK3CD (0.74) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL794940 0.89 PIK3CD (0.78) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL795749 0.89 PIK3CD (0.71) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL10229888 0.89 PIK3CD (0.75) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL15485542 0.87 PIK3CD (0.85) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL15485536 0.86 PIK3CD (0.78) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL15485602 0.86 PIK3CD (0.83) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL787981 0.86 PIK3CD (1.00) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL15485700 0.86 PIK3CD (0.83) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL787863 0.86 PIK3CD (0.82) PIK3CDPIK3R1PDE2APDE4APIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037226-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO disclosed