SCHEMBL4663071

SCHEMBL4663071

CC(C)COC(=O)N1CCC(Cc2cc(Br)nc(Br)c2N)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 6/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIN2B Q13224 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
HDAC2 Q92769 1/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL4666791 0.83 GPR119 (0.37) JAK2JAK1GPR119TLR9TLR8
SCHEMBL4663066 0.83 DPP4 (0.43) GPR119KDM4E
SCHEMBL4663070 0.81 GPR119 (0.35) JAK2JAK1GPR119TLR9TLR8
SCHEMBL4665129 0.74 GPR119 (0.43) JAK2JAK1GPR119TLR9TLR8
SCHEMBL3396290 0.72 PRMT5 (0.47) PRMT5WDR77MEN1KMT2ARAB9A
SCHEMBL5220949 0.71 PRMT5 (0.47) GPR119GRIN2BPRMT5WDR77MEN1
SCHEMBL4663367 0.70 GPR119 (0.41) JAK2JAK1GPR119TLR9TLR8
SCHEMBL4666838 0.70 GRIN2B (0.44) JAK2JAK1GRIN2B
SCHEMBL1162894 0.70 RAB9A (0.47) JAK2JAK1GPR119TLR9TLR8
SCHEMBL2894884 0.70 TPSAB1 (0.47) JAK2JAK1GPR119MEN1HPGD

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-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO disclosed