SCHEMBL31455407

SCHEMBL31455407

COC(=O)C1CC2(C1)CN(Cc1ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])cn1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.35
GSK3A P49840 5/20 0.35
AURKA O14965 2/20 0.35
PIN1 Q13526 1/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
PTK2B Q14289 1/20 0.32
BRD4 O60885 2/20 0.31

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
SCHEMBL31455116 0.87 HDAC2 (0.35) ALDH1A1TDP1PDCD1LG2CD274
SCHEMBL31455146 0.79 GSK3A (0.35) GSK3BGSK3AAURKAMEN1CYP2C19
SCHEMBL31455013 0.76 GSK3B (0.44) GSK3BGSK3AAURKAPIN1MAPT
SCHEMBL31455394 0.74 MAPT (0.36) GSK3BGSK3AAURKAMAPTALDH1A1
SCHEMBL31455141 0.74 POLB (0.36) MAPTMAPK1NPC1RAB9AMEN1
SCHEMBL31455247 0.74 PIN1 (0.46) GSK3BGSK3AAURKAPIN1MAPT
SCHEMBL31455342 0.74 ALDH1A1 (0.57) MAPTMEN1KMT2ABRD4ALDH1A1
SCHEMBL31455412 0.73 GSK3B (0.43) GSK3BGSK3AAURKAPIN1MAPT
SCHEMBL31455591 0.72 GSK3B (0.39) GSK3BGSK3AAURKAPIN1MAPT
SCHEMBL25384573 0.69 ABCG2 (0.54) GSK3BGSK3AAURKAMAPTMAPK1

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