SCHEMBL6997188

SCHEMBL6997188

CCc1nn(C(CCCc2ccccc2)C(C)O)c2nc(Cc3ccccc3)[nH]c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 16/20 0.52
▸ CCNE1 P24864 16/20 0.52
▸ CDK2 P24941 16/20 0.52
▸ CDK4 P11802 12/20 0.52
▸ CCND1 P24385 12/20 0.52
▸ CCNB2 O95067 10/20 0.52
▸ CDK1 P06493 10/20 0.52
▸ CCNB1 P14635 10/20 0.52
▸ CCNB3 Q8WWL7 10/20 0.52
▸ PDE2A O00408 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL6997368 0.95 CCNE2 (0.51) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6999184 0.90 PDE2A (0.57) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6987648 0.90 PDE2A (0.47) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6998938 0.88 CCNE2 (0.44) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6991547 0.87 PDE2A (0.49) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6998132 0.87 CCNE2 (0.43) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6998944 0.84 CCNE2 (0.54) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7892404 0.82 CCNE2 (0.53) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6996492 0.81 PDE2A (0.47) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4947310 0.80 PDE2A (0.62) 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
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