SCHEMBL6205419

SCHEMBL6205419

COc1ccc(CNc2nc(N(CCO)C(C)C)nc3c2N(C(C)C)NN3C(C)C)c(O)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.36
CDK2 P24941 10/20 0.36
MTOR P42345 1/20 0.34
PKM P14618 3/20 0.34
CCNE2 O96020 7/20 0.34
PDE5A O76074 3/20 0.34
PDE4D Q08499 3/20 0.34
CCNT1 O60563 3/20 0.34
CDK9 P50750 3/20 0.34
PDE6C P51160 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
PDE10A Q9Y233 1/20 0.34
GAA P10253 3/20 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
SCHEMBL6202735 0.92 CCNE1 (0.44) CCNE1CDK2PKMCCNE2CCNT1
SCHEMBL6203391 0.88 CCNE2 (0.31) CCNE1CDK2CCNE2PDE5APDE4D
SCHEMBL6203896 0.81 CCNE2 (0.37) CCNE1CDK2CCNE2PDE5APDE4D
SCHEMBL3446467 0.80 CDK1 (0.42) CCNE1CDK2PKMCCNE2CCNT1
SCHEMBL6201113 0.80 CDK1 (0.46) CCNE1CDK2CCNE2PDE5APDE4D
SCHEMBL3445040 0.79 CDK2 (0.36) CCNE1CDK2PKMCCNE2CCNT1
SCHEMBL6203420 0.78 CDK1 (0.33) CCNE1CDK2CCNE2PDE5APDE4D
SCHEMBL6204991 0.78 PKM (0.42) CCNE1CDK2PKMCCNE2CCNT1
SCHEMBL3446628 0.78 CCNE1 (0.36) CCNE1CDK2PKMCCNE2CCNT1
SCHEMBL3445025 0.78 CDK2 (0.54) CCNE1CDK2CCNE2CCNT1CDK9

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