SCHEMBL1708050

SCHEMBL1708050

CC(=O)O[C@H]1c2ccc(N(C(=O)C(F)(F)F)[C@@H]3COc4c3cccc4-n3c(C)nc4ccccc43)cc2OC1C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL1708118 1.00 TSHR (0.32) TSHRPTGDR2
SCHEMBL1707936 1.00 TSHR (0.32) TSHRPTGDR2
SCHEMBL1708285 0.93 LMNA (0.31)
SCHEMBL1707990 0.93 CHEK1 (0.31)
SCHEMBL1707946 0.93 CHEK1 (0.31)
SCHEMBL1707937 0.93 CHEK1 (0.31)
SCHEMBL1708025 0.93 CHEK1 (0.30)
SCHEMBL1707978 0.93 CHEK1 (0.30)
SCHEMBL1708331 0.90
SCHEMBL1708386 0.90

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