SCHEMBL30369564

SCHEMBL30369564

Nc1nccc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 7/20 1.00
GSK3B P49841 9/20 0.64
CDK5 Q00535 9/20 0.64
CDK5R1 Q15078 9/20 0.64
DYRK1A Q13627 5/20 0.64
CCNB2 O95067 3/20 0.64
CDK1 P06493 3/20 0.64
CCNB1 P14635 3/20 0.64
PRKACA P17612 3/20 0.64
PRKACG P22612 3/20 0.64
PRKACB P22694 3/20 0.64
CCNB3 Q8WWL7 3/20 0.64
CSNK1A1 P48729 2/20 0.64
CSNK1D P48730 2/20 0.64
CSNK1E P49674 2/20 0.64
CSNK1G2 P78368 2/20 0.64
CSNK1G1 Q9HCP0 2/20 0.64
MAP3K14 Q99558 5/20 0.59
NFATC1 O95644 1/20 0.56
PIM1 P11309 2/20 0.54

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
SCHEMBL28982761 1.00 CLK1 (1.00) CLK1GSK3BCDK5CDK5R1DYRK1A
SCHEMBL30369770 0.90 CLK1 (0.82) CLK1GSK3BCDK5CDK5R1DYRK1A
SCHEMBL28982792 0.90 CLK1 (0.82) CLK1GSK3BCDK5CDK5R1DYRK1A
SCHEMBL2239305 0.80 CLK1 (0.66) CLK1GSK3BCDK5CDK5R1PDPK1
Meridianin D SCHEMBL23539138 0.78 GSK3B (1.00) CLK1GSK3BCDK5CDK5R1DYRK1A
Meridianin D SCHEMBL31094009 0.78 GSK3B (1.00) CLK1GSK3BCDK5CDK5R1DYRK1A
SCHEMBL29488164 0.78 GSK3B (0.71) CLK1GSK3BCDK5CDK5R1DYRK1A
SCHEMBL23175317 0.78 GSK3B (0.71) CLK1GSK3BCDK5CDK5R1DYRK1A
SCHEMBL30369123 0.78 GSK3B (1.00) CLK1GSK3BCDK5CDK5R1DYRK1A
SCHEMBL28492625 0.78 MAP3K14 (0.80) CLK1GSK3BCDK5CDK5R1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115925686-B MERIDIANIN derivatives, lewis acid-promoted coupling synthesis method and application thereof 贵州医科大学 2024-07-30 CN disclosed
CN-115925686-A Meridianin derivatives, coupling synthesis method and application thereof promoted by Lewis acid 贵州医科大学 2023-04-07 CN disclosed