SCHEMBL30175666

SCHEMBL30175666

Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 1.00
GSK3A P49840 4/20 1.00
CDK1 P06493 3/20 1.00
CCNB2 O95067 2/20 1.00
CCNB1 P14635 2/20 1.00
CCNB3 Q8WWL7 2/20 1.00
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
LIMK1 P53667 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
SLK Q9H2G2 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
CSNK1G1 Q9HCP0 1/20 0.47
PRKCQ Q04759 5/20 0.36
STK17A Q9UEE5 1/20 0.36
NPBWR1 P48145 1/20 0.35
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
INPPL1 O15357 1/20 0.33

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
SCHEMBL29402871 1.00 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL29408793 1.00 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4394521 1.00 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4398967 0.92 GSK3B (0.85) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4398216 0.92 GSK3B (0.85) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4400584 0.92 GSK3B (0.85) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL13956702 0.92 GSK3B (0.85) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4404418 0.92 GSK3B (0.84) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4398818 0.91 GSK3B (0.83) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5094421 0.91 GSK3B (0.83) GSK3BGSK3ACDK1CCNB2CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336897-A1 COMPOSITIONS AND METHODS FOR CELL REPROGRAMMING CORNELL UNIVERSITY 2024-10-10 US claimed
WO-2023034720-A1 COMPOSITIONS AND METHODS FOR CELL REPROGRAMMING CORNELL UNIVERSITY (US) 2023-03-09 WO claimed
US-20240336897-A1 COMPOSITIONS AND METHODS FOR CELL REPROGRAMMING CORNELL UNIVERSITY 2024-10-10 US disclosed
WO-2023034720-A1 COMPOSITIONS AND METHODS FOR CELL REPROGRAMMING CORNELL UNIVERSITY (US) 2023-03-09 WO disclosed