SCHEMBL6204714

SCHEMBL6204714

CCCN(CO)c1nc(NCc2cc(O)c(Cl)cc2O)c2nn[nH]c2n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.32
PGK1 P00558 1/20 0.31
PRUNE1 Q86TP1 1/20 0.30

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
SCHEMBL6205408 0.87 PRUNE1 (0.35) SLC29A1PRUNE1
SCHEMBL6204719 0.86 PGK1 (0.33) PGK1
SCHEMBL6204126 0.85 SLC29A1 (0.32) SLC29A1PRUNE1
SCHEMBL6203494 0.79 PRUNE1 (0.40) SLC29A1PRUNE1
SCHEMBL6203167 0.78 CCNE1 (0.41) SLC29A1PRUNE1
SCHEMBL6202754 0.78 CDK5 (0.43) SLC29A1PRUNE1
SCHEMBL6204808 0.77 PRUNE1 (0.37) SLC29A1PRUNE1
SCHEMBL6204092 0.75 CCNT1 (0.31)
SCHEMBL3445949 0.75 CDK2 (0.51)
SCHEMBL6205643 0.74 CDK5 (0.45)

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