SCHEMBL6998944

SCHEMBL6998944

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 20/20 0.54
CCNE1 P24864 20/20 0.54
CDK2 P24941 20/20 0.54
CDK4 P11802 15/20 0.51
CCND1 P24385 15/20 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

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
SCHEMBL6993959 0.85 CCNE2 (0.50) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6999205 0.84 CCNE2 (0.48) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6991451 0.84 CCNE2 (0.46) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6997188 0.84 CCNE2 (0.52) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6997368 0.81 CCNE2 (0.51) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL1960096 0.81 PDE2A (0.42) CCNE2CCNE1CDK2
SCHEMBL6993028 0.81 PDE2A (0.47) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6999184 0.79 PDE2A (0.57) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7896916 0.78 CCNE2 (0.55) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7442300 0.77 PDE2A (0.57) CCNE2CCNE1CDK2

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