SCHEMBL30554593

SCHEMBL30554593

COc1ccc([N+](=O)[O-])cc1-c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.55
PIK3CB P42338 5/20 0.55
PIK3CG P48736 5/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PLK1 P53350 1/20 0.52
CDK2 P24941 6/20 0.51
GSK3B P49841 4/20 0.51
CDK4 P11802 3/20 0.51
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
PRKCA P17252 1/20 0.46
CCNA2 P20248 1/20 0.46
CCNA1 P78396 1/20 0.46
SYK P43405 1/20 0.46
CLK1 P49759 1/20 0.46
PIM1 P11309 1/20 0.44
CCND3 P30281 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
SCHEMBL25340053 1.00 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL25335900 0.86 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL30554566 0.86 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL30554571 0.86 PIK3CA (0.50) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL25337330 0.86 PIK3CA (0.50) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL25336527 0.83 PIK3CA (0.51) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL30554554 0.83 PIK3CA (0.51) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL25337070 0.83 KCNH2 (0.51) MEN1KMT2ACDK2GSK3BCDK4
SCHEMBL30554510 0.83 KCNH2 (0.51) MEN1KMT2ACDK2GSK3BCDK4
SCHEMBL25337886 0.82 PLK1 (0.52) PIK3CAPIK3CBPIK3CGMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472953-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF Nexys Therapeutics, Inc. (US) 2024-12-11 EP disclosed
CN-118891251-A Aryl hydrocarbon receptor agonists and uses thereof 奈可萨斯医药有限公司 2024-11-01 CN disclosed
WO-2023150197-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed