SCHEMBL1708437

SCHEMBL1708437

CC(=O)O[C@H]1c2ccc(NCc3cccc(-c4c(C)nc(OC(F)F)nc4C)c3C)cc2OC1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 1/20 0.30
HAO1 Q9UJM8 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 0.84 CD274 (0.34) PDCD1CD274HAO1
SCHEMBL1708101 0.84 RORC (0.33) PDCD1CD274
SCHEMBL1708447 0.84 CD274 (0.33) PDCD1CD274HAO1
SCHEMBL3718036 0.81 DHFR (0.31) PDCD1CD274
SCHEMBL1707949 0.80 PDCD1 (0.36) PDCD1CD274HAO1
SCHEMBL10291778 0.78 FFAR1 (0.39) PDCD1CD274
SCHEMBL1707920 0.78 FFAR1 (0.46)
SCHEMBL1707845 0.78 PDCD1 (0.33) PDCD1CD274
SCHEMBL1708201 0.78 PDCD1 (0.33) PDCD1CD274
SCHEMBL1708462 0.78 SMN1; SMN2 (0.37) PDCD1CD274

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