SCHEMBL6203896

SCHEMBL6203896

COc1cc(O)c(CNc2nc(N(CCO)C(C)C)nc3c2N(C(C)C)NN3C(C)C)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 8/20 0.37
CCNE1 P24864 8/20 0.37
CDK2 P24941 8/20 0.37
PDE5A O76074 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE6C P51160 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
PDE10A Q9Y233 1/20 0.37
PRUNE1 Q86TP1 1/20 0.34

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
SCHEMBL6204218 0.90 CCNE2 (0.30) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6204186 0.85 PDE5A (0.36) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL6205419 0.81 CCNE1 (0.36) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL6202735 0.80 CCNE1 (0.44) CCNE2CCNE1CDK2CCNT1CDK9
SCHEMBL6201113 0.79 CDK1 (0.46) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL3445444 0.79 CDK1 (0.40) CCNE1CDK2CDK1CCNB1CCNA2
SCHEMBL3445636 0.78 CDK2 (0.35) CCNE2CCNE1CDK2CDK1CDK9
SCHEMBL6203788 0.77 CCNE2 (0.32) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL3444058 0.77 BCDIN3D (0.33) CCNE2CCNE1CDK2CCNA2
SCHEMBL3445173 0.77 CDK2 (0.44) CCNE2CCNE1CDK2CCNT1CDK1

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 4 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
EP-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP disclosed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO disclosed