SCHEMBL30180657

SCHEMBL30180657

O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)nc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.82
KMT2A Q03164 4/20 0.82
USP2 O75604 2/20 0.82
POLB P06746 5/20 0.68
MAPK1 P28482 3/20 0.68
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
THRB P10828 1/20 0.68
MCL1 Q07820 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
MITF O75030 1/20 0.58
DNMT1 P26358 5/20 0.55
DNMT3A Q9Y6K1 4/20 0.55
DNMT3L Q9UJW3 2/20 0.47
P4HTM Q9NXG6 1/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL19151335 1.00 MAPT (0.82) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL25825372 0.93 KMT2A (0.70) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL19124864 0.91 MAPT (1.00) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL19151333 0.86 MAPT (0.60) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL19151411 0.85 KMT2A (0.59) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL30180798 0.85 KMT2A (0.59) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL22793632 0.85 MAPT (0.59) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL30180507 0.84 KMT2A (0.80) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL19151510 0.84 KMT2A (0.80) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL30180389 0.83 KMT2A (0.57) MAPTKMT2AUSP2POLBMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426279-A1 AKT3 MODULATORS Georgiamune Inc. (US) 2024-09-11 EP disclosed
CN-118524833-A AKT3 modulators 乔治穆内公司 2024-08-20 CN disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
CN-115867562-A AKT3 modulators 乔治穆内有限责任公司 2023-03-28 CN disclosed
EP-4146667-A1 AKT3 MODULATORS Georgiamune LLC (US) 2023-03-15 EP disclosed