SCHEMBL6052091

SCHEMBL6052091

CC(O)C(CCCc1ccccc1)n1cnc2c(O)nc(Cc3ccc(Cl)c(Cl)c3)nc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.39
CCNB1 P14635 4/20 0.39
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL6052089 0.82 PDE2A (0.49) CCNKCDK12
SCHEMBL6051960 0.79 CDK1 (0.46) CDK1CCNB1CCNKCDK12TDP1
SCHEMBL6051992 0.77 TDP1 (0.39) MAPK1TDP1
SCHEMBL6052078 0.77 TDP1 (0.43) TSHRMAPK1TDP1
SCHEMBL6051967 0.76 CDK1 (0.42) CDK1CCNB1CCNKCDK12TDP1
SCHEMBL6051982 0.72 CDK1 (0.38) CDK1CCNB1CCNKCDK12
SCHEMBL6023263 0.72 PDE2A (0.44)
SCHEMBL6052136 0.71 CDK1 (0.38) CDK1CCNB1CCNKCDK12
SCHEMBL7459663 0.69 ADA (0.69) TSHR
SCHEMBL7440929 0.69 PDE2A (0.54)

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