SCHEMBL6996492

SCHEMBL6996492

Cc1nn(C(CCCc2ccccc2)C(C)O)c2nc(Cc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.47
CCNE2 O96020 11/20 0.42
CCNE1 P24864 11/20 0.42
CDK2 P24941 11/20 0.42
CDK4 P11802 9/20 0.42
CCND1 P24385 9/20 0.42
CCNB2 O95067 6/20 0.42
CDK1 P06493 6/20 0.42
CCNB1 P14635 6/20 0.42
CCNB3 Q8WWL7 6/20 0.42
RNASEH1 O60930 1/20 0.41
CCNK O75909 1/20 0.38
CCND3 P30281 1/20 0.38
GSK3B P49841 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 1/20 0.38
CDK6 Q00534 1/20 0.38
CDK12 Q9NYV4 1/20 0.38

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
SCHEMBL6987648 0.90 PDE2A (0.47) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL4947310 0.88 PDE2A (0.62) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL6998591 0.85 PDE2A (0.45) PDE2A
SCHEMBL6998743 0.85 PDE2A (0.42) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL6987730 0.82 GAA (0.43) PDE2A
SCHEMBL6052089 0.82 PDE2A (0.49) PDE2ARNASEH1CCNKCDK12
SCHEMBL6997188 0.81 CCNE2 (0.52) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL6991547 0.81 PDE2A (0.49) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL6999184 0.79 PDE2A (0.57) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL6997472 0.79 KDM4E (0.41) PDE2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973774-B1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2003-01-22 EP disclosed