SCHEMBL30458326

SCHEMBL30458326

CC(=O)Nc1cc(C2CCC2)[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.61
CCNA2 P20248 16/20 0.61
CCNA1 P78396 16/20 0.61
CDK9 P50750 3/20 0.57
CDK5 Q00535 3/20 0.57
CCNE1 P24864 2/20 0.56
CDK5R1 Q15078 2/20 0.56
CCNT1 O60563 1/20 0.56
HCAR2 Q8TDS4 1/20 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
SCHEMBL6390430 0.82 CDK2 (0.73) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL3559853 0.79 CDK2 (0.55) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL5867649 0.78 CCNA2 (0.59) CDK2CCNA2CCNA1
SCHEMBL5867732 0.78 CCNA2 (0.62) CDK2CCNA2CCNA1
SCHEMBL29659569 0.77 CDK2 (0.79) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL29659491 0.77 CCNA2 (0.70) CDK2CCNA2CCNA1
SCHEMBL5868029 0.76 CCNA2 (1.00) CDK2CCNA2CCNA1
SCHEMBL3567395 0.76 CDK2 (0.53) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL25649664 0.76 CDK2 (0.78) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL26549015 0.76 IGF1R (0.52) CDK2CCNA2CCNA1CDK9CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO claimed