SCHEMBL6203902

SCHEMBL6203902

CCCN(CO)c1nc(NCc2ccc(Cl)c(O)c2O)c2c(n1)N(C(C)C)NN2C(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 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
SCHEMBL6204092 0.86 CCNT1 (0.31) CCNE1CDK2
SCHEMBL6203391 0.85 CCNE2 (0.31) CCNE2CCNE1CDK2
SCHEMBL6204991 0.84 PKM (0.42) CCNE2CCNE1CDK2
SCHEMBL6204543 0.82 CCNE1 (0.37) CCNE2CCNE1CDK2
SCHEMBL6205006 0.82 CDK1 (0.44) CCNE2CCNE1CDK2
SCHEMBL3444388 0.79 CDK1 (0.43) CCNE2CCNE1CDK2
SCHEMBL3444736 0.78 CDK2 (0.45) CCNE2CCNE1CDK2
SCHEMBL6204186 0.77 PDE5A (0.36) CCNE2CCNE1CDK2
SCHEMBL3444614 0.77 CDK2 (0.36) CCNE1CDK2
SCHEMBL3445700 0.76 BCDIN3D (0.38) CCNE2CCNE1CDK2

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