SCHEMBL30336971

SCHEMBL30336971

O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCCCCn1cc2c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 16/20 0.74
GSK3B P49841 15/20 0.74
PRKCG P05129 13/20 0.74
PRKCA P17252 12/20 0.74
PRKCE Q02156 7/20 0.74
PRKCD Q05655 6/20 0.74
CDK1 P06493 2/20 0.72
CDK2 P24941 1/20 0.72
PRKCQ Q04759 1/20 0.72
PRKCH P24723 3/20 0.64
PRKCZ Q05513 3/20 0.64
SRC P12931 2/20 0.64
CCNB2 O95067 1/20 0.62
PDGFRB P09619 1/20 0.62
CCNB1 P14635 1/20 0.62
PDGFRA P16234 1/20 0.62
PRKACA P17612 1/20 0.62
PRKACG P22612 1/20 0.62
PRKACB P22694 1/20 0.62
KDR P35968 1/20 0.62

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
SCHEMBL29800011 1.00 PRKCB (0.74) PRKCBGSK3BPRKCGPRKCAPRKCE
SCHEMBL22765422 1.00 PRKCB (0.74) PRKCBGSK3BPRKCGPRKCAPRKCE
SCHEMBL30336889 1.00 PRKCB (0.74) PRKCBGSK3BPRKCGPRKCAPRKCE
SCHEMBL12629162 1.00 PRKCB (0.74) PRKCBGSK3BPRKCGPRKCAPRKCE
SCHEMBL22765333 0.89 PRKCB (0.67) PRKCBGSK3BPRKCGPRKCAPRKCE
SCHEMBL12629226 0.88 PRKCB (0.65) PRKCBGSK3BPRKCGPRKCAPRKCE
SCHEMBL25778145 0.88 GSK3B (0.90) PRKCBGSK3BPRKCGPRKCAPRKCE
SCHEMBL4346607 0.85 GSK3B (1.00) PRKCBGSK3BPRKCGPRKCAPRKCE
SCHEMBL22765525 0.85 GSK3B (0.97) PRKCBGSK3BPRKCGPRKCAPRKCE
SCHEMBL4343058 0.85 GSK3B (1.00) PRKCBGSK3BPRKCGPRKCAPRKCE

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
CN-115905860-A Deep learning test sample selection method and system based on feature distribution analysis 南京航空航天大学 2023-04-04 CN claimed
CN-116403067-A Multi-objective optimization-based deep neural network test picture selection method and system 南京航空航天大学 2023-07-07 CN disclosed
CN-115905860-A Deep learning test sample selection method and system based on feature distribution analysis 南京航空航天大学 2023-04-04 CN disclosed