SCHEMBL31455339

SCHEMBL31455339

COC(=O)C1CCC(C(=O)Nc2ccc(Nc3nc(-c4ccnn4C)ccc3[N+](=O)[O-])cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.45
GSK3B P49841 2/20 0.41
DYRK1A Q13627 2/20 0.41
WNT1 P04628 1/20 0.41
MAPT P10636 1/20 0.39
PORCN Q9H237 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TP53 P04637 3/20 0.39
PKM P14618 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.37
MAP4K1 Q92918 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 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
SCHEMBL31455494 0.84 HDAC1 (0.44) ABL1GSK3BDYRK1AWNT1MAPT
SCHEMBL31455084 0.82 MAPT (0.39) ABL1GSK3BDYRK1AWNT1MAPT
SCHEMBL31455392 0.82 PORCN (0.41) GSK3BDYRK1AMAPTPORCNNPC1
SCHEMBL31455273 0.82 NPC1 (0.40) GSK3BDYRK1AWNT1MAPTNPC1
SCHEMBL31455333 0.82 MAPT (0.38) ABL1GSK3BDYRK1AWNT1MAPT
SCHEMBL31455246 0.76 BRD4 (0.37) GSK3BMAPTPORCNCYP2D6KMT2A
SCHEMBL31455162 0.73 KMT2A (0.42) GSK3BDYRK1AWNT1MAPTNPC1
SCHEMBL31455261 0.72 PTPN2 (0.50) ABL1NPC1RAB9AKMT2ALMNA
SCHEMBL31455523 0.72 ABL1 (0.50) ABL1NPC1RAB9ATP53PKM
SCHEMBL31455202 0.71 KDR (0.44) ABL1NPC1RAB9ATP53PKM

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