SCHEMBL6204092

SCHEMBL6204092

CCCN(CO)c1nc(NCc2cc(O)c(Cl)cc2O)c2c(n1)N(C(C)C)NN2C(C)C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
CDK9 P50750 2/20 0.31
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
CDK7 P50613 1/20 0.31
CCNH P51946 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
SCHEMBL6203902 0.86 CCNE2 (0.31) CCNE1CDK2
SCHEMBL6204186 0.81 PDE5A (0.36) CCNT1CCNE1CDK2CDK9CDK5
SCHEMBL6204543 0.80 CCNE1 (0.37) CCNT1CCNE1CDK2CDK9CDK5
SCHEMBL6205006 0.80 CDK1 (0.44) CCNT1CCNE1CDK2CDK9CDK5
SCHEMBL6204991 0.79 PKM (0.42) CCNT1CCNE1CDK2CDK9
SCHEMBL3446607 0.79 CDK1 (0.43) CCNT1CCNE1CDK2CDK9CDK5
SCHEMBL3445300 0.78 CDK2 (0.51) CCNT1CCNE1CDK2CDK9CDK5
SCHEMBL3444992 0.77 CDK2 (0.36) CCNT1CCNE1CDK2CDK9CDK5
SCHEMBL6203776 0.77 CDK5 (0.46) CCNE1CDK2CDK5CDK5R1
SCHEMBL3444188 0.76 BCDIN3D (0.38) CCNT1CCNE1CDK2CDK9CDK5

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