SCHEMBL1708200

SCHEMBL1708200

CC(C(=O)O)[C@@H]1COc2cc(N(C(=O)C(F)(F)F)[C@@H]3COc4c(Nc5ccc(F)cn5)cccc43)ccc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 13/20 0.34
JAK1 P23458 12/20 0.34
JAK2 O60674 8/20 0.33
PDE4D Q08499 4/20 0.33
JAK3 P52333 2/20 0.32
STAT3 P40763 1/20 0.32
KDM4C Q9H3R0 2/20 0.30
KDM6B O15054 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
SCHEMBL1707746 0.90 JAK2 (0.31) TYK2JAK1JAK2JAK3KDM4C
SCHEMBL1707912 0.89 IDO1 (0.30)
SCHEMBL1707914 0.87 MAPT (0.33) KDM4C
SCHEMBL1707801 0.87
SCHEMBL1708214 0.86 KCNK3 (0.30)
SCHEMBL1708574 0.86 HDAC1 (0.30)
SCHEMBL1707820 0.86 KDM4C (0.30) KDM4C
SCHEMBL1708311 0.86 HDAC1 (0.30)
SCHEMBL1708527 0.86 HDAC1 (0.30)
SCHEMBL10011262 0.85 PPARD (0.38)

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