SCHEMBL6992393

SCHEMBL6992393

COc1ccc(Cc2nc3c(c(C)nn3C(CCCc3ccccc3)C(C)=O)c(=O)[nH]2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.55
CCNE1 P24864 6/20 0.45
CDK2 P24941 6/20 0.45
CCNE2 O96020 5/20 0.45
CDK4 P11802 4/20 0.45
CCND1 P24385 4/20 0.45
CCNB2 O95067 3/20 0.40
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
CCNB3 Q8WWL7 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RNASEH1 O60930 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4947310 0.88 PDE2A (0.62) PDE2ACCNE1CDK2CCNE2CDK4
SCHEMBL6991709 0.83 PDE2A (0.58) PDE2ACCNE1CDK2CCNE2CDK4
SCHEMBL359546 0.82 PDE2A (0.51) PDE2ACCNE1CDK2CCNE2CDK4
SCHEMBL6999184 0.79 PDE2A (0.57) PDE2ACCNE1CDK2CCNE2CDK4
SCHEMBL6024102 0.78 PDE2A (0.47) PDE2ACCNE1CDK2CCNE2CDK4
SCHEMBL6023289 0.78 PDE2A (0.47) PDE2ACCNE1CDK2CCNE2CDK4
SCHEMBL7885856 0.77 CCNE2 (0.50) PDE2ACCNE1CDK2CCNE2CDK4
SCHEMBL6024368 0.77 PDE2A (0.46) PDE2ACCNE1CDK2CCNE2CDK4
SCHEMBL6024717 0.77 PDE2A (0.46) PDE2ACCNE1CDK2CCNE2CDK4
SCHEMBL6987648 0.77 PDE2A (0.47) PDE2ACCNE1CDK2CCNE2CDK4

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-0973774-B1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2003-01-22 EP disclosed
US-6174884-B1 CARDIOVASCULAR DISORDERS; CEREBROVASCULAR DISEASES; VASCULAR SYSTEM DISORDERS, ESPECIALLY THE PERIPHERAL BLOOD VESSELS; UROGENITAL DISORDERS; HYPOTENSIVE AGENTS; ANTIARRYTHMIA AND -ISCHEMIC AGENTS; PHOSPHODIESTERASE ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed