SCHEMBL31455353

SCHEMBL31455353

Nc1ccc(Nc2nc(-n3cccn3)ccc2[N+](=O)[O-])cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
GSK3B P49841 2/20 0.38
PIN1 Q13526 1/20 0.37
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
MDM2 Q00987 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
AURKA O14965 1/20 0.35
GSK3A P49840 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NLRP3 Q96P20 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL31455417 0.78 PRMT1 (0.39) MAPTGSK3BMEN1KMT2AALDH1A1
SCHEMBL31455273 0.75 NPC1 (0.40) MAPTGSK3BMEN1KMT2AALDH1A1
SCHEMBL30574897 0.75 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5311688 0.75 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL31371399 0.75 MKNK1 (0.42) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL31455246 0.74 BRD4 (0.37) MAPTGSK3BPIN1MEN1KMT2A
SCHEMBL31420362 0.74 GSK3B (0.47) MAPTGSK3BPIN1MEN1KMT2A
SCHEMBL31455289 0.73 PIK3CA (0.46) MAPTGSK3BPIN1MEN1KMT2A
SCHEMBL31056393 0.73 CHRNA7 (0.35) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL16563660 0.69 LMNA (0.43) MAPTMEN1KMT2AALDH1A1LMNA

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