SCHEMBL30369528

SCHEMBL30369528

Nc1nccc(-c2c[nH]c3cccc(Cl)c23)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 13/20 0.71
CDK5R1 Q15078 13/20 0.71
GSK3B P49841 11/20 0.71
CDK2 P24941 6/20 0.71
CCNB2 O95067 6/20 0.71
CDK1 P06493 6/20 0.71
CCNB1 P14635 6/20 0.71
PRKACA P17612 6/20 0.71
PRKACG P22612 6/20 0.71
PRKACB P22694 6/20 0.71
CCNB3 Q8WWL7 6/20 0.71
CCNT1 O60563 5/20 0.71
CCNA2 P20248 5/20 0.71
CDK9 P50750 5/20 0.71
CCNA1 P78396 5/20 0.71
CLK1 P49759 5/20 0.71
PDPK1 O15530 3/20 0.71
HTR1A P08908 2/20 0.71
HTR2B P41595 2/20 0.71
SLC6A3 Q01959 1/20 0.71

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
SCHEMBL28982776 1.00 CDK5 (0.71) CDK5CDK5R1GSK3BCDK2CCNB2
Meridianin A SCHEMBL29354190 0.83 CDK5 (1.00) CDK5CDK5R1GSK3BCDK2CCNB2
SCHEMBL28982781 0.83 CDK5 (0.71) CDK5CDK5R1GSK3BCDK2CCNB2
Meridianin A SCHEMBL28982793 0.83 CDK5 (1.00) CDK5CDK5R1GSK3BCDK2CCNB2
SCHEMBL30369303 0.83 CDK5 (0.71) CDK5CDK5R1GSK3BCDK2CCNB2
SCHEMBL30369347 0.80 HTR1A (1.00) CDK5CDK5R1GSK3BCDK2CCNB2
SCHEMBL28982783 0.80 HTR1A (1.00) CDK5CDK5R1GSK3BCDK2CCNB2
SCHEMBL2239702 0.80 CDK5 (1.00) CDK5CDK5R1GSK3BCDK2CCNB2
SCHEMBL28982791 0.78 DYRK1A (1.00) CDK5CDK5R1GSK3BCDK2CCNB2
SCHEMBL30369497 0.78 DYRK1A (1.00) CDK5CDK5R1GSK3BCDK2CCNB2

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