SCHEMBL7843680

SCHEMBL7843680

CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(NC(=O)OCc3ccccc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
MCL1 Q07820 1/20 0.36
SYK P43405 1/20 0.36
HDAC1 Q13547 5/20 0.36
HDAC2 Q92769 5/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
IDO1 P14902 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL10077165 0.94 HDAC1 (0.36) CCNE2CCNE1CDK2CKS1BSKP1
SCHEMBL430210 0.92 CCNE2 (0.38) CCNE2CCNE1CDK2CKS1BSKP1
SCHEMBL6803680 0.90 TDP1 (0.40) CCNE2CCNE1CDK2CKS1BSKP1
SCHEMBL434638 0.86 TLR7 (0.36) CCNE2CCNE1CDK2CKS1BSKP1
SCHEMBL13037056 0.86 CCNE2 (0.37) CCNE2CCNE1CDK2CKS1BSKP1
SCHEMBL430139 0.85 CKS1B (0.36) CCNE2CCNE1CDK2CKS1BSKP1
SCHEMBL458786 0.85 MEN1 (0.38) CCNE2CCNE1CDK2CKS1BSKP1
SCHEMBL10047121 0.85 HDAC1 (0.39) CCNE2CCNE1CDK2HDAC1HDAC2
SCHEMBL7852849 0.84 CDK5 (0.41) CCNE2CCNE1CDK2CKS1BSKP1
SCHEMBL431129 0.84 CCNE2 (0.40) CCNE2CCNE1CDK2MCL1HDAC1

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
EP-1085020-A1 Synthesis of modified diaminopurines and their incorporation into oligomers DAKO A/S (DK) 2001-03-21 EP disclosed