SCHEMBL6991709

SCHEMBL6991709

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 13/20 0.58
CCNE2 O96020 5/20 0.47
CCNE1 P24864 5/20 0.47
CDK2 P24941 5/20 0.47
CDK4 P11802 4/20 0.47
CCND1 P24385 4/20 0.47
POLB P06746 1/20 0.42
CCNB2 O95067 3/20 0.42
CDK1 P06493 3/20 0.42
CCNB1 P14635 3/20 0.42
CCNB3 Q8WWL7 3/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6993028 0.92 PDE2A (0.47) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL4947310 0.86 PDE2A (0.62) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL6991547 0.84 PDE2A (0.49) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL6999184 0.84 PDE2A (0.57) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL2835216 0.83 PDE2A (0.55) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL6992393 0.83 PDE2A (0.55) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL6999205 0.81 CCNE2 (0.48) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL7500192 0.81 PDE2A (0.55) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL7354927 0.78 PDE2A (0.57) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL7000731 0.78 PDE2A (0.57) PDE2APOLB

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