SCHEMBL6997368

SCHEMBL6997368

CCc1nn(C(CCCc2ccccc2)C(C)O)c2nc(Cc3ccc(N)cc3)[nH]c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 17/20 0.51
CCNE1 P24864 17/20 0.51
CDK2 P24941 17/20 0.51
CDK4 P11802 13/20 0.51
CCND1 P24385 13/20 0.51
CCNB2 O95067 12/20 0.51
CDK1 P06493 12/20 0.51
CCNB1 P14635 12/20 0.51
CCNB3 Q8WWL7 12/20 0.51
PDE2A O00408 3/20 0.42

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
SCHEMBL6997188 0.95 CCNE2 (0.52) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6999184 0.87 PDE2A (0.57) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6998938 0.85 CCNE2 (0.44) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6987648 0.85 PDE2A (0.47) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7895715 0.85 CCNE2 (0.52) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6998132 0.84 CCNE2 (0.43) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6991547 0.83 PDE2A (0.49) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6998944 0.81 CCNE2 (0.54) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6993959 0.81 CCNE2 (0.50) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7892404 0.80 CCNE2 (0.53) CCNE2CCNE1CDK2CDK4CCND1

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