SCHEMBL6205414

SCHEMBL6205414

CCCN(CO)c1nc(NCc2cc(O)c(OC)cc2O)c2[nH]nnc2n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.32
EHMT2 Q96KQ7 2/20 0.31
EHMT1 Q9H9B1 2/20 0.31
PRUNE1 Q86TP1 1/20 0.31
EGFR P00533 1/20 0.30
KDR P35968 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
SCHEMBL6204719 0.87 PGK1 (0.33)
SCHEMBL6205408 0.86 PRUNE1 (0.35) HMGCREHMT2EHMT1PRUNE1
SCHEMBL6204811 0.85 PRUNE1 (0.32) PRUNE1
SCHEMBL6203495 0.83 PRUNE1 (0.35) PRUNE1
SCHEMBL6203460 0.83 MTOR (0.32) PRUNE1
SCHEMBL6203171 0.77 CCNE1 (0.37) EGFR
SCHEMBL6202760 0.77 CDK1 (0.40) PRUNE1EGFR
SCHEMBL3445672 0.76 CDK2 (0.46)
SCHEMBL6203475 0.75 SMN1; SMN2 (0.45) EGFR
SCHEMBL3444371 0.75 CDK2 (0.36) EGFRKDR

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 disclosed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO disclosed