SCHEMBL28825569

SCHEMBL28825569

FC(F)(F)c1cccc([CH]c2cncc(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.46
FBP1 P09467 1/20 0.44
P4HB P07237 2/20 0.44
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
KIF11 P52732 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
TTR P02766 1/20 0.39
PIM1 P11309 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL3237563 0.85 NFE2L2 (0.58) NFE2L2FBP1P4HBTSHRMAPK1
SCHEMBL7435417 0.80 NFE2L2 (0.53) NFE2L2FBP1P4HBTSHRMAPK1
SCHEMBL28825622 0.78 NFE2L2 (0.56) NFE2L2FBP1P4HBTSHRMAPK1
SCHEMBL28825623 0.76 GRIN1 (0.40) NFE2L2FBP1P4HBMAPK1PKM
SCHEMBL28825672 0.76 NFE2L2 (0.41) NFE2L2FBP1P4HBNPC1
SCHEMBL28825568 0.76 NFE2L2 (0.46) NFE2L2FBP1P4HBDYRK1ADYRK2
SCHEMBL16399179 0.74 NFE2L2 (0.45) NFE2L2FBP1P4HBDYRK1ADYRK2
SCHEMBL16399180 0.74 NFE2L2 (0.45) NFE2L2FBP1P4HBDYRK1ADYRK2
SCHEMBL6205431 0.74 NFE2L2 (0.51) NFE2L2FBP1TSHRMAPK1MAPT
SCHEMBL543039 0.74 NFE2L2 (0.55) NFE2L2FBP1P4HBDYRK1ADYRK2

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
CN-114007610-A Substituted heteroaromatic pyrazolopyridines and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-02-01 CN disclosed