SCHEMBL6204524

SCHEMBL6204524

CC(C)N(CCO)c1nc(NCc2ccc(Cl)c(N)c2)c2[nH]nnc2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 8/20 0.34
CCNE1 P24864 8/20 0.34
CDK2 P24941 8/20 0.34
PDE5A O76074 4/20 0.34
PDE4D Q08499 3/20 0.34
PDE6C P51160 2/20 0.34
CDK1 P06493 3/20 0.33
CDK5 Q00535 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CDK5R1 Q15078 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PRUNE1 Q86TP1 1/20 0.32
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 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
SCHEMBL6204246 0.85 BRAF (0.35) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL6202508 0.84 LCK (0.30) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6201142 0.83 CDK1 (0.46) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL6204274 0.82 CCR4 (0.33) CCNE2CCNE1CDK2
SCHEMBL6203326 0.81 CDK2 (0.38) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL6205469 0.81
SCHEMBL6204587 0.80 BRAF (0.35) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL6203806 0.80 STAT3 (0.36) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL3445349 0.78 CDK2 (0.42) CCNE1CDK2CDK1CDK5CDK7
SCHEMBL6205328 0.78 PARP1 (0.36) CCNE2CCNE1CDK2PDE5APDE4D

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