SCHEMBL31485331

SCHEMBL31485331

CC(C)(C)OC(=O)Nc1ccc2cc(N)nc(N3CCC(F)(F)CC3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.39
DYRK1A Q13627 1/20 0.39
TSHR P16473 1/20 0.38
FSHR P23945 1/20 0.38
SCN10A Q9Y5Y9 8/20 0.37
WHR1 P49842 2/20 0.36
KIF18A Q8NI77 4/20 0.35
MAPT P10636 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
MAPK1 P28482 1/20 0.34
GSK3A P49840 1/20 0.34

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
SCHEMBL31485338 0.83 GSK3B (0.41) GSK3BDYRK1ATSHRFSHRSCN10A
SCHEMBL31485400 0.82 SCN10A (0.44) GSK3BDYRK1ATSHRFSHRSCN10A
SCHEMBL31485279 0.78 KIF18A (0.49) KIF18A
SCHEMBL26650662 0.76 SCN10A (0.35) GSK3BDYRK1ASCN10AWHR1KIF18A
SCHEMBL26650968 0.74 NOS3 (0.36) SCN10AWHR1
SCHEMBL26650429 0.74 NOS3 (0.41) SCN10AWHR1
SCHEMBL26650701 0.73 SCN10A (0.41) SCN10AWHR1
SCHEMBL26650666 0.72 SCN10A (0.36) GSK3BTSHRFSHRSCN10AWHR1
SCHEMBL29988330 0.72 TSHR (0.43) GSK3BDYRK1ATSHRFSHRSCN10A
SCHEMBL26507319 0.72 TSHR (0.43) GSK3BDYRK1ATSHRFSHRSCN10A

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-4524135-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2025-03-19 EP disclosed