SCHEMBL1708224

SCHEMBL1708224

CC(=O)O[C@@H]1COc2cc(NCc3ccc(C(F)(F)F)c(-c4cnc(N5CCOCC5)c(F)c4)c3C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
BRAF P15056 14/20 0.34
RAF1 P04049 12/20 0.34
STAT6 P42226 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
JAK2 O60674 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
SCHEMBL1708457 0.93 STAT6 (0.37) GAAALOX15MAPK1BRAFRAF1
SCHEMBL1707869 0.92 STAT6 (0.36) GAAALOX15MAPK1BRAFRAF1
SCHEMBL1708223 0.87 FFAR1 (0.42) GAASTAT6
SCHEMBL3715118 0.82 PTGES (0.39)
SCHEMBL3719582 0.81 WNT3A (0.39) GAAALOX15MAPK1BRAFRAF1
SCHEMBL1708222 0.81 STAT6 (0.36) GAAALOX15MAPK1BRAFRAF1
SCHEMBL13046563 0.81 FFAR1 (0.40) GAAALOX15MAPK1STAT6
SCHEMBL1708456 0.80 FFAR1 (0.45) STAT6
SCHEMBL1707868 0.79 FFAR1 (0.38) GAAALOX15MAPK1BRAFRAF1
SCHEMBL10292319 0.78 FFAR1 (0.36) GAAALOX15MAPK1BRAFRAF1

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