SCHEMBL806202

SCHEMBL806202

Cn1c(C(=O)NCC2CC2)nc2c(N3CCC(c4ccccc4)CC3)ncnc21

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.66
PIK3R1 P27986 1/20 0.66
NAPEPLD Q6IQ20 8/20 0.44
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
SCN9A Q15858 2/20 0.40
PDE10A Q9Y233 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
GRM2 Q14416 1/20 0.39

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
SCHEMBL788303 0.87 PIK3CD (0.59) PIK3CDPIK3R1NAPEPLDCNR1CNR2
SCHEMBL18175791 0.85 PIK3CD (0.63) PIK3CDPIK3R1CNR1CNR2
SCHEMBL787665 0.84 PIK3CD (0.61) PIK3CDPIK3R1NAPEPLDCNR1CNR2
SCHEMBL793688 0.84 PIK3CD (0.65) PIK3CDPIK3R1
SCHEMBL806116 0.84 PIK3CD (0.60) PIK3CDPIK3R1NAPEPLDCNR1CNR2
SCHEMBL788962 0.82 PIK3CD (0.69) PIK3CDPIK3R1CNR1CNR2PDE10A
SCHEMBL788605 0.82 PIK3CD (0.58) PIK3CDPIK3R1
SCHEMBL788059 0.82 PIK3CD (0.58) PIK3CDPIK3R1CNR1CNR2GRM2
SCHEMBL788603 0.81 PIK3CD (0.70) PIK3CDPIK3R1CNR1CNR2PDE10A
SCHEMBL788884 0.80 PIK3CD (0.74) PIK3CDPIK3R1CNR1CNR2SCN9A

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