SCHEMBL806333

SCHEMBL806333

CC(C)CNC(=O)c1nc2c(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)ncnc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.59
PIK3R1 P27986 1/20 0.59
PLD2 O14939 12/20 0.46
PLD1 Q13393 10/20 0.46
OPRM1 P35372 1/20 0.44
CYP3A4 P08684 1/20 0.44
CALCRL Q16602 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL18175774 0.88 PIK3CD (0.72) PIK3CDPIK3R1PLD2PLD1OPRM1
SCHEMBL787847 0.86 PIK3CD (0.58) PIK3CDPIK3R1PLD2PLD1OPRM1
SCHEMBL806209 0.85 PIK3CD (0.70) PIK3CDPIK3R1PLD2PLD1OPRM1
SCHEMBL789021 0.85 PIK3CD (0.57) PIK3CDPIK3R1PLD2PLD1OPRM1
SCHEMBL10227569 0.85 PIK3CD (0.81) PIK3CDPIK3R1PLD2PLD1KDM4E
SCHEMBL787971 0.83 PIK3CD (0.68) PIK3CDPIK3R1PLD2PLD1OPRM1
SCHEMBL788976 0.81 PIK3CD (0.64) PIK3CDPIK3R1PLD2PLD1OPRM1
SCHEMBL15485696 0.78 PIK3CD (0.77) PIK3CDPIK3R1PLD2PLD1OPRM1
SCHEMBL10229565 0.77 PIK3CD (0.79) PIK3CDPIK3R1PLD2PLD1
SCHEMBL787863 0.77 PIK3CD (0.82) PIK3CDPIK3R1PLD2PLD1KDM4E

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