SCHEMBL1707908

SCHEMBL1707908

COc1ccc(-c2cccc(CNc3ccc4c(c3)OC(C)[C@H]4OC(C)=O)c2C)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 14/20 0.41
PDCD1 Q15116 11/20 0.41
NTRK1 P04629 1/20 0.37
EED O75530 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 1/20 0.35
RAB9A P51151 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
TNIK Q9UKE5 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL1708225 0.89 KLKB1 (0.35) CD274PDCD1NTRK1EZH2RAB9A
SCHEMBL1708584 0.84 CD274 (0.41) CD274PDCD1NTRK1EEDSUZ12
SCHEMBL1707949 0.81 PDCD1 (0.36) CD274PDCD1RAB9A
SCHEMBL1707867 0.79 ALDH1A1 (0.40) CD274PDCD1RAB9AMEN1KMT2A
SCHEMBL1708201 0.78 PDCD1 (0.33) CD274PDCD1KMT2A
SCHEMBL1707845 0.78 PDCD1 (0.33) CD274PDCD1KMT2A
SCHEMBL1708583 0.77 FFAR1 (0.49) CD274PDCD1
SCHEMBL13048415 0.77 FFAR1 (0.42) CD274PDCD1NTRK1EEDSUZ12
SCHEMBL1708437 0.77 PDCD1 (0.33) CD274PDCD1
SCHEMBL1708101 0.76 RORC (0.33) CD274PDCD1EEDSUZ12EZH2

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