SCHEMBL1707744

SCHEMBL1707744

CC(C(=O)O)[C@@H]1COc2cc(N(C(=O)C(F)(F)F)[C@@H]3COc4c(Nc5ccc(C#N)cc5)cccc43)ccc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.33
KDM4C Q9H3R0 2/20 0.32
MCHR1 Q99705 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
SCHEMBL1707834 0.94 KDM4C (0.34) KDM4CMCHR1
SCHEMBL1708663 0.91 IRAK4 (0.32) KDM4CMCHR1
SCHEMBL1707912 0.86 IDO1 (0.30)
SCHEMBL1707801 0.86
SCHEMBL10011156 0.85 PPARG (0.37) KDM4C
SCHEMBL1708193 0.85
SCHEMBL1707739 0.85
SCHEMBL1708575 0.84 KDM4E (0.31)
SCHEMBL1707746 0.83 JAK2 (0.31) KDM4C
SCHEMBL1708311 0.83 HDAC1 (0.30)

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