SCHEMBL31455361

SCHEMBL31455361

COC(=O)C1CCC(C(=O)Nc2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])c(C)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.40
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 3/20 0.40
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
EGFR P00533 1/20 0.39
ROS1 P08922 1/20 0.39
ALK Q9UM73 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CDC25C P30307 1/20 0.39
DUSP3 P51452 1/20 0.39
LMNA P02545 3/20 0.38
USP2 O75604 2/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL31455141 0.91 POLB (0.36) EGFRROS1ALKNPC1RAB9A
SCHEMBL31455364 0.87 ADORA1 (0.42) ADORA1ADORA3ADORA2AGSK3AGSK3B
SCHEMBL31455449 0.86 GSK3B (0.39) ADORA1ADORA3ADORA2AGSK3AGSK3B
SCHEMBL31455204 0.83 GSK3B (0.38) ADORA1ADORA3ADORA2AGSK3AGSK3B
SCHEMBL31455107 0.81 BRD9 (0.41) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL31455019 0.79 GSK3A (0.34) ADORA1ADORA3ADORA2AGSK3AGSK3B
SCHEMBL31454994 0.78 TNIK (0.36) ADORA1ADORA3ADORA2AGSK3AGSK3B
SCHEMBL31455145 0.78 CYP3A4 (0.33) ADORA1ADORA3ADORA2AGSK3AGSK3B
SCHEMBL31455342 0.78 ALDH1A1 (0.57) MEN1KMT2ALMNAHTTMAPT
SCHEMBL31455712 0.75 TSHR (0.42) GSK3BMEN1KMT2ALMNAHTT

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