SCHEMBL6635546

SCHEMBL6635546

CC(C)C(=O)Nc1nc(Cl)c2ncn(CC(=O)N(CCNC(=O)OC(C)(C)C)CC(=O)O)c2n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.35
CDK5R1 Q15078 3/20 0.35
FGFR1 P11362 1/20 0.35
FGFR4 P22455 1/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
BRD4 O60885 1/20 0.33
CCNE2 O96020 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA2 P20248 1/20 0.31
CCNA1 P78396 1/20 0.31
STK17B O94768 1/20 0.31
STK17A Q9UEE5 1/20 0.31

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
SCHEMBL7852849 0.91 CDK5 (0.41) CDK5CDK5R1CKS1BSKP1SKP2
SCHEMBL6046933 0.84 KDM4E (0.39) CKS1BSKP1SKP2BRD4
SCHEMBL7852502 0.79 CDK5 (0.36) CDK5CDK5R1FGFR1FGFR4BRD4
SCHEMBL13037052 0.79 TLR7 (0.36) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL10077177 0.79 CCNE1 (0.40) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL20633993 0.78 CCNE2 (0.35) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL7843680 0.77 CCNE2 (0.39) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL6635297 0.77 FGFR1 (0.48) CDK5CDK5R1FGFR1FGFR4
SCHEMBL430142 0.77 CDK2 (0.36) CKS1BSKP1SKP2BRD4CCNE2
SCHEMBL432421 0.77 CKS1B (0.36) CKS1BSKP1SKP2BRD4CCNE2

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
EP-1085020-B1 Synthesis of peptide nucleic acids PNA DIAGNOSTICS APS APPLIED BI (DK) 2004-03-17 EP disclosed
EP-1085020-A1 Synthesis of modified diaminopurines and their incorporation into oligomers DAKO A/S (DK) 2001-03-21 EP disclosed