SCHEMBL6204366

SCHEMBL6204366

CC(C)N(CCO)c1nc(NCc2c(O)cc(Cl)cc2O)c2nnn(C(C)C)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 15/20 0.37
CDK2 P24941 15/20 0.37
CCNE2 O96020 12/20 0.37
CDK5 Q00535 5/20 0.37
CDK1 P06493 2/20 0.37
CDK5R1 Q15078 4/20 0.36
PDE5A O76074 2/20 0.36
PDE4D Q08499 2/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
CDK7 P50613 2/20 0.36
CCNH P51946 2/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
MNAT1 P51948 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PDE6C P51160 1/20 0.35
ATM Q13315 1/20 0.35
HTT P42858 1/20 0.31
SLC29A1 Q99808 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
SCHEMBL6203399 0.81 KMT2A (0.42) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL3446389 0.78 CDK2 (0.43) CCNE1CDK2CCNE2CDK5CDK1
SCHEMBL3444367 0.77 CDK2 (0.51) CCNE1CDK2CCNE2CDK5CDK1
SCHEMBL3444363 0.77 CDK2 (0.51) CCNE1CDK2CCNE2CDK5CDK1
SCHEMBL3445671 0.77 CDK2 (0.40) CCNE1CDK2CCNE2CDK5CDK1
SCHEMBL3445759 0.77 CDK2 (0.54) CCNE1CDK2CCNE2CDK5CDK1
SCHEMBL6204218 0.76 CCNE2 (0.30) CCNE1CDK2CCNE2CDK5CDK1
SCHEMBL6205469 0.75
SCHEMBL3444611 0.73 CCNE1 (0.56) CCNE1CDK2CCNE2CDK5CDK1
SCHEMBL3445371 0.71 CLK1 (0.48) CCNE1CDK2CCNE2CDK5CDK1

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