SCHEMBL1708220

SCHEMBL1708220

CC(=O)O[C@@H]1COc2cc(NCc3cccc(-c4c(C)oc5ncccc45)c3C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
CD274 Q9NZQ7 7/20 0.34
PDCD1 Q15116 5/20 0.34
P2RX7 Q99572 2/20 0.34
FFAR1 O14842 2/20 0.33
KDM4C Q9H3R0 1/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3717530 0.88 FFAR1 (0.35) INSRIGF1RCD274PDCD1P2RX7
SCHEMBL13046592 0.87 FFAR1 (0.40) CD274PDCD1P2RX7FFAR1
SCHEMBL1708219 0.86 FFAR1 (0.46) FFAR1
SCHEMBL1707845 0.85 PDCD1 (0.33) INSRIGF1RCD274PDCD1MAPT
SCHEMBL10291553 0.85 FFAR1 (0.37) P2RX7FFAR1MAPTALDH1A1KMT2A
SCHEMBL1708584 0.78 CD274 (0.41) CD274PDCD1
SCHEMBL1707921 0.78 CD274 (0.34) INSRIGF1RCD274PDCD1P2RX7
SCHEMBL1708447 0.78 CD274 (0.33) INSRIGF1RCD274PDCD1P2RX7
SCHEMBL1708296 0.78 CD274 (0.34) INSRIGF1RCD274PDCD1P2RX7
SCHEMBL1708348 0.77 GAA (0.39) CD274MAPTALDH1A1KDM4ELMNA

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-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed