SCHEMBL31455246

SCHEMBL31455246

Cn1nccc1-c1ccc([N+](=O)[O-])c(Nc2ccc(N)nc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
MCL1 Q07820 1/20 0.36
PTK2B Q14289 1/20 0.36
HSF1 Q00613 1/20 0.36
GSK3B P49841 2/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PIN1 Q13526 1/20 0.35
PORCN Q9H237 3/20 0.35
CYP2D6 P10635 3/20 0.35
CD63 P08962 1/20 0.34
SYK P43405 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL31420362 0.79 GSK3B (0.47) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL31455392 0.79 PORCN (0.41) BRD4MAPTMEN1KMT2ACYP1A2
SCHEMBL31455289 0.78 PIK3CA (0.46) BRD4MAPTMEN1KMT2ACYP1A2
SCHEMBL31455339 0.76 ABL1 (0.45) MAPTKMT2AGSK3BPORCNCYP2D6
SCHEMBL31455066 0.74 FLT3 (0.41) BRD4MAPTMEN1KMT2ACYP1A2
SCHEMBL31455353 0.74 MAPT (0.38) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL31455438 0.74 FLT3 (0.44) BRD4MAPTMEN1KMT2ACYP1A2
SCHEMBL31455381 0.65 GSK3B (0.47) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL31455855 0.64 IDO1 (0.45) MAPTMEN1KMT2AEGFR
SCHEMBL29310766 0.64 TNF (0.47) BRD4MAPTMEN1KMT2ACYP1A2

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