SCHEMBL31455146

SCHEMBL31455146

COC(=O)C(C)(C)C1CCN(Cc2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])cn2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.35
GSK3B P49841 3/20 0.35
AURKA O14965 2/20 0.35
PRKAA2 P54646 3/20 0.34
FAAH O00519 1/20 0.34
ACHE P22303 1/20 0.34
SYK P43405 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PLK1 P53350 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL31455206 0.88 CHRM2 (0.38) PRKAA2SYKCHRM2CHRM1CHRM3
SCHEMBL31455407 0.79 GSK3B (0.35) GSK3AGSK3BAURKACYP2C19PLK1
SCHEMBL31455013 0.75 GSK3B (0.44) GSK3AGSK3BAURKACYP2C19MEN1
SCHEMBL31455591 0.75 GSK3B (0.39) GSK3AGSK3BAURKACYP2C19MEN1
SCHEMBL31455328 0.75 DRD4 (0.44) FAAHACHESYKSIGMAR1
SCHEMBL30802389 0.74 SIGMAR1 (0.46) PRKAA2SIGMAR1MEN1KMT2A
SCHEMBL27226835 0.74 SIGMAR1 (0.46) PRKAA2SIGMAR1MEN1KMT2A
SCHEMBL31455198 0.73 SIGMAR1 (0.41) FAAHACHESYKCYP2D6SIGMAR1
SCHEMBL31455247 0.73 PIN1 (0.46) GSK3AGSK3BAURKACYP2C19MEN1
SCHEMBL31455412 0.73 GSK3B (0.43) GSK3AGSK3BAURKACYP2C19MEN1

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