SCHEMBL1708447

SCHEMBL1708447

CC(=O)O[C@@H]1COc2cc(NCc3cccc(-c4c(C)nc(OC(F)F)nc4C)c3C)ccc21.[CaH2]

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.33
PDCD1 Q15116 5/20 0.33
KMT2A Q03164 3/20 0.33
INSR P06213 1/20 0.33
IGF1R P08069 1/20 0.33
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
FFAR1 O14842 2/20 0.32
HAO1 Q9UJM8 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
P2RX7 Q99572 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL1707921 0.99 CD274 (0.34) CD274PDCD1KMT2AINSRIGF1R
SCHEMBL10291778 0.85 FFAR1 (0.39) CD274PDCD1FFAR1
SCHEMBL1707920 0.85 FFAR1 (0.46) FFAR1
SCHEMBL1708445 0.84 FFAR1 (0.38) CD274PDCD1FFAR1
SCHEMBL1708437 0.84 PDCD1 (0.33) CD274PDCD1HAO1
SCHEMBL1708296 0.83 CD274 (0.34) CD274PDCD1KMT2AINSRIGF1R
SCHEMBL1708348 0.82 GAA (0.39) CD274GAAMAPT
SCHEMBL3717530 0.78 FFAR1 (0.35) CD274PDCD1KMT2AINSRIGF1R
SCHEMBL1708220 0.78 INSR (0.35) CD274PDCD1KMT2AINSRIGF1R
SCHEMBL3718036 0.77 DHFR (0.31) CD274PDCD1

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