SCHEMBL6203737

SCHEMBL6203737

CC(=O)c1cccc(CNc2nc(N(CCO)C(C)C)nc3c2N(C(C)C)NN3C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.36
CDK5 Q00535 2/20 0.36
CDK2 P24941 8/20 0.34
CCNE2 O96020 7/20 0.34
CCNE1 P24864 7/20 0.34
PDE5A O76074 3/20 0.33
PDE4D Q08499 3/20 0.33
PDE6C P51160 2/20 0.33
CCNB1 P14635 3/20 0.32
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CDK5R1 Q15078 1/20 0.32
PDE10A Q9Y233 1/20 0.32
WDR5 P61964 2/20 0.32
CCNB2 O95067 2/20 0.32
CCNB3 Q8WWL7 2/20 0.32

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
SCHEMBL6205415 0.86 CDK1 (0.34) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL3444723 0.80 CDK1 (0.47) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL6205538 0.80 CCNE2 (0.35) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL3443903 0.79 CDK2 (0.42) CDK1CDK5CDK2CCNE1CCNB1
SCHEMBL3444183 0.78 BCDIN3D (0.39) CDK1CDK2CCNE2CCNE1CCNA2
SCHEMBL3444325 0.78 CDK2 (0.50) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL6203806 0.78 STAT3 (0.36) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL6203788 0.77 CCNE2 (0.32) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL6204218 0.77 CCNE2 (0.30) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL6202735 0.76 CCNE1 (0.44) CDK2CCNE2CCNE1CCNT1CDK9

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-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP claimed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO claimed