SCHEMBL4553046

SCHEMBL4553046

CC(C)COC(=O)N1CCC(c2cc(N)[nH]n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TRPC6 Q9Y210 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
GPR119 Q8TDV5 5/20 0.40
HSD17B10 Q99714 2/20 0.38
TRPC3 Q13507 2/20 0.38
TRPC7 Q9HCX4 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
KDM5A P29375 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
SCHEMBL18039975 0.81 KDM4E (0.40) KDM4EHPGDALDH1A1NPSR1CNR1
SCHEMBL1493280 0.80 HTT (0.54) KDM4EHPGDALDH1A1NPSR1CNR1
SCHEMBL16648631 0.80 SMN1; SMN2 (0.57) KDM4EHPGDALDH1A1NPSR1JAK2
SCHEMBL18039882 0.78 KDM4E (0.37) KDM4EHPGDALDH1A1NPSR1CNR1
SCHEMBL19385266 0.73 USP30 (0.59) NPSR1JAK2JAK1TRPC3TRPC7
SCHEMBL18625213 0.71 HTR2B (0.49) TLR9TLR8TLR7KDM4EHPGD
SCHEMBL793658 0.71 RAB9A (0.49) HPGDALDH1A1JAK2JAK1GPR119
SCHEMBL3639005 0.70 QDPR (0.50) TLR9TLR8TLR7TRPC6
SCHEMBL704010 0.70 RAB9A (0.51) TLR9TLR8TLR7HPGDALDH1A1
SCHEMBL18039912 0.70 ALOX15 (0.48) TLR9TLR8TLR7KDM4EHSD17B10

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-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 WO disclosed