SCHEMBL6998938

SCHEMBL6998938

CCc1nn(C(CCCc2ccccc2)C(C)O)c2nc(Cc3ccc4c(c3)OCO4)[nH]c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 14/20 0.44
CCNE1 P24864 14/20 0.44
CDK2 P24941 14/20 0.44
CDK4 P11802 10/20 0.44
CCND1 P24385 10/20 0.44
CCNB2 O95067 7/20 0.44
CDK1 P06493 7/20 0.44
CCNB1 P14635 7/20 0.44
CCNB3 Q8WWL7 7/20 0.44
PDE2A O00408 3/20 0.42
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 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
SCHEMBL6998591 0.92 PDE2A (0.45) PDE2APKMMEN1ALDH1A1KMT2A
SCHEMBL6991451 0.91 CCNE2 (0.46) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6997188 0.88 CCNE2 (0.52) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6999184 0.85 PDE2A (0.57) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6997368 0.85 CCNE2 (0.51) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7356637 0.84 PDE2A (0.40) PDE2APKMMEN1ALDH1A1KMT2A
SCHEMBL6997152 0.84 PDE9A (0.51) PDE2APKMMEN1ALDH1A1KMT2A
SCHEMBL6998132 0.81 CCNE2 (0.43) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7894008 0.80 CCNE2 (0.42) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6987648 0.79 PDE2A (0.47) 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