SCHEMBL31455102

SCHEMBL31455102

CC(C)(C)OC(=O)N1CCC(c2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
JAK2 O60674 8/20 0.43
JAK3 P52333 6/20 0.43
PTK2 Q05397 5/20 0.43
HPGDS O60760 1/20 0.43
USP30 Q70CQ3 3/20 0.43
LCK P06239 1/20 0.42
BTK Q06187 1/20 0.42
JAK1 P23458 3/20 0.41
GPR119 Q8TDV5 1/20 0.41
TP53 P04637 1/20 0.41
PRKCQ Q04759 1/20 0.40
PDE4B Q07343 1/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL31455378 0.96 HPGDS (0.44) NAMPTJAK2JAK3PTK2HPGDS
SCHEMBL31420375 0.95 NAMPT (0.51) NAMPTJAK2JAK3PTK2LCK
SCHEMBL31420326 0.93 NAMPT (0.40) NAMPTJAK2JAK3PTK2HPGDS
SCHEMBL31455683 0.85 JAK2 (0.46) JAK2JAK3PTK2LCKBTK
SCHEMBL31455264 0.84 USP30 (0.39) JAK2JAK3HPGDSUSP30GPR119
SCHEMBL31455205 0.82 PRKCQ (0.38) JAK2JAK3PTK2USP30JAK1
SCHEMBL31455277 0.81 PRKCQ (0.37) NAMPTHPGDSUSP30GPR119TP53
SCHEMBL30802461 0.81 JAK2 (0.44) JAK2JAK3
SCHEMBL27225984 0.81 JAK2 (0.44) JAK2JAK3
SCHEMBL31455261 0.81 PTPN2 (0.50) HPGDSUSP30GPR119

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
WO-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed