SCHEMBL31455683

SCHEMBL31455683

CC(C)(C)OC(=O)N1CC(c2ccc(Nc3nc(-c4ccc(F)cc4)ccc3[N+](=O)[O-])cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.46
JAK3 P52333 5/20 0.46
PTK2 Q05397 4/20 0.46
JAK1 P23458 8/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
SLC34A1 Q06495 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
LCK P06239 1/20 0.37
BTK Q06187 1/20 0.37
ENPP2 Q13822 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL31420326 0.91 NAMPT (0.40) JAK2JAK3PTK2LCKBTK
SCHEMBL31455102 0.85 NAMPT (0.45) JAK2JAK3PTK2JAK1LCK
SCHEMBL31455378 0.84 HPGDS (0.44) JAK2JAK3PTK2JAK1LCK
SCHEMBL31455504 0.84 MKNK1 (0.40) JAK2JAK3PTK2PTPN2PTPN1
SCHEMBL31420375 0.83 NAMPT (0.51) JAK2JAK3PTK2JAK1PTPN2
SCHEMBL31455264 0.82 USP30 (0.39) JAK2JAK3
SCHEMBL31455205 0.82 PRKCQ (0.38) JAK2JAK3PTK2JAK1
SCHEMBL31455277 0.79 PRKCQ (0.37) SLC34A1
SCHEMBL31455508 0.78 MEN1 (0.39) JAK3SLC34A1LCKBTK
SCHEMBL31455299 0.77 SLC34A1 (0.40) JAK2JAK3PTK2SLC34A1LCK

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
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed