SCHEMBL1707746

SCHEMBL1707746

CC(C(=O)O)[C@@H]1COc2cc(N(C(=O)C(F)(F)F)[C@@H]3COc4c(Nc5ccccn5)cccc43)ccc21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 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
SCHEMBL1707914 0.91 MAPT (0.33) KDM4CMAPT
SCHEMBL1708200 0.90 TYK2 (0.34) JAK2JAK1TYK2JAK3KDM4C
SCHEMBL1707739 0.87
SCHEMBL1708193 0.87
SCHEMBL1708575 0.87 KDM4E (0.31) MAPT
SCHEMBL1707820 0.86 KDM4C (0.30) KDM4C
SCHEMBL1707801 0.85
SCHEMBL1707912 0.85 IDO1 (0.30)
SCHEMBL3721484 0.85 PPARG (0.40) KDM4C
SCHEMBL1708263 0.84

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 1 patent. 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