SCHEMBL1708296

SCHEMBL1708296

CC(=O)O[C@@H]1COc2cc(NCc3cccc(-c4c(C)nn(C(F)F)c4C)c3C)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 9/20 0.34
PDCD1 Q15116 5/20 0.33
RORC P51449 1/20 0.33
EED O75530 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
INSR P06213 1/20 0.33
IGF1R P08069 1/20 0.33
FFAR1 O14842 3/20 0.32
MAPT P10636 2/20 0.31
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 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
SCHEMBL3794470 0.89 RORC (0.33) RORCINSRIGF1RFFAR1MAPT
SCHEMBL1708103 0.86 FFAR1 (0.39) CD274PDCD1FFAR1
SCHEMBL1708294 0.85 FFAR1 (0.45) FFAR1
SCHEMBL1708101 0.85 RORC (0.33) CD274PDCD1RORCEEDSUZ12
SCHEMBL1707921 0.84 CD274 (0.34) CD274PDCD1INSRIGF1RFFAR1
SCHEMBL1708447 0.83 CD274 (0.33) CD274PDCD1INSRIGF1RFFAR1
SCHEMBL3798510 0.81 ALDH1A1 (0.33) RORCFFAR1MAPTALDH1A1
SCHEMBL1708348 0.79 GAA (0.39) CD274MAPTALDH1A1LMNAGAA
SCHEMBL1708220 0.78 INSR (0.35) CD274PDCD1INSRIGF1RFFAR1
SCHEMBL3717530 0.78 FFAR1 (0.35) CD274PDCD1INSRIGF1RFFAR1

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