SCHEMBL5047151

SCHEMBL5047151

COc1ccc(-c2cc3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)ccc3n2C(=O)OC(C)(C)C)c2c1CNC2=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 9/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
GPR119 Q8TDV5 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
NSD2 O96028 1/20 0.36
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ATR Q13535 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
NR1H2 P55055 1/20 0.35

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
SCHEMBL3047269 0.93 MEN1 (0.37) TBK1MEN1KMT2AATRATRIP
SCHEMBL3047734 0.90 VEGFA (0.40) TBK1IDO1TDO2IDO2GPR119
SCHEMBL3046667 0.90 IDO1 (0.42) TBK1IDO1TDO2IDO2GPR119
SCHEMBL3050148 0.87 CFTR (0.39) GPR119MEN1KMT2AATRATRIP
SCHEMBL3048249 0.86 GAA (0.37) TBK1ATRATRIPNR1H2
SCHEMBL3034090 0.85 LTA4H (0.36) TBK1IDO1TDO2IDO2MEN1
SCHEMBL3050701 0.85 NR1H2 (0.35) IDO1TDO2IDO2ATRATRIP
SCHEMBL3051013 0.85 GAA (0.39) MEN1KMT2ANR1H2
SCHEMBL3048132 0.85 NR1H2 (0.35) IDO1TDO2IDO2ATRATRIP
SCHEMBL3153122 0.84 NR1H2 (0.35) IDO1TDO2IDO2MEN1KMT2A

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
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed