SCHEMBL6052136

SCHEMBL6052136

CC(CCCc1ccccc1)n1cnc2c(O)nc(Cc3ccc(-c4ccsc4)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.38
CCNB1 P14635 6/20 0.38
CCNE2 O96020 6/20 0.37
CCNE1 P24864 6/20 0.37
CDK2 P24941 6/20 0.37
CCNA2 P20248 3/20 0.37
CCNA1 P78396 3/20 0.37
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MGLL Q99685 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL6051960 0.88 CDK1 (0.46) CDK1CCNB1CDK2CCNKCDK12
SCHEMBL6051967 0.85 CDK1 (0.42) CDK1CCNB1CDK2CCNKCDK12
SCHEMBL6051982 0.84 CDK1 (0.38) CDK1CCNB1CCNE2CCNE1CDK2
SCHEMBL6052132 0.81 PDE2A (0.51) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL6052091 0.71 CDK1 (0.39) CDK1CCNB1CCNKCDK12
SCHEMBL7436563 0.69 PDE2A (0.57) CDK1CCNB1CCNE2CCNE1CDK2
SCHEMBL6052100 0.68 PDE2A (0.44) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL7436632 0.67 PDE2A (0.53) CDK1CCNB1CCNE2CCNE1CDK2
SCHEMBL6051959 0.67 PDE2A (0.63)
SCHEMBL6051979 0.66 PDE2A (0.53) CDK1CCNB1CCNE2CCNE1CDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229242-A1 Composition comprising a pulmonary surfactant and a pde2 inhibitor ALTANA PHAZMA AG (DE) 2006-10-12 US claimed
EP-1660132-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA Pharma AG (DE) 2006-05-31 EP claimed
WO-2005021037-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA PHARMA AG (DE) 2005-03-10 WO claimed
US-20060229242-A1 Composition comprising a pulmonary surfactant and a pde2 inhibitor ALTANA PHAZMA AG (DE) 2006-10-12 US disclosed
EP-1660132-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA Pharma AG (DE) 2006-05-31 EP disclosed
WO-2005021037-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA PHARMA AG (DE) 2005-03-10 WO disclosed