SCHEMBL6051967

SCHEMBL6051967

CC(CCCc1ccccc1)n1cnc2c(O)nc(Cc3ccc(F)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 9/20 0.42
▸ CCNB1 P14635 7/20 0.42
▸ CCNK O75909 2/20 0.36
▸ CDK12 Q9NYV4 2/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ AHR P35869 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 0.94 CDK1 (0.46) CDK1CCNB1CCNKCDK12TDP1
SCHEMBL6052136 0.85 CDK1 (0.38) CDK1CCNB1CCNKCDK12CDK2
SCHEMBL6051982 0.84 CDK1 (0.38) CDK1CCNB1CCNKCDK12CYP19A1
SCHEMBL6051965 0.79 PDE2A (0.57) TDP1MAPTPDE2A
SCHEMBL6052091 0.76 CDK1 (0.39) CDK1CCNB1CCNKCDK12TDP1
SCHEMBL7436563 0.73 PDE2A (0.57) CDK1CCNB1CCNB2CDK2CCNB3
SCHEMBL6051959 0.71 PDE2A (0.63) KDM4EPDE2A
SCHEMBL7442300 0.69 PDE2A (0.57) CDK2PDE2A
SCHEMBL7435951 0.67 PDE2A (0.46) KDM4EPDE2A
SCHEMBL7436632 0.66 PDE2A (0.53) CDK1CCNB1KDM4EMAPTCDK5

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
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