SCHEMBL38295

SCHEMBL38295

Cc1c(-c2cc(=O)c(O)co2)sc2nc(Cc3cccc(Cl)c3)[nH]c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.52
CCNE2 O96020 6/20 0.42
CCNE1 P24864 6/20 0.42
CDK2 P24941 6/20 0.42
CCNB2 O95067 4/20 0.42
CDK1 P06493 4/20 0.42
CDK4 P11802 4/20 0.42
CCNB1 P14635 4/20 0.42
CCND1 P24385 4/20 0.42
CCNB3 Q8WWL7 4/20 0.42
PDE9A O76083 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL37808 0.88 RNASEH1 (0.45) PDE5ACCNE2CCNE1CDK2CCNB2
SCHEMBL38486 0.83 PDE5A (0.60) PDE5ACCNE2CCNE1CDK2CCNB2
SCHEMBL3492213 0.76 PDE5A (0.60) PDE5ACCNE2CCNE1CDK2CCNB2
SCHEMBL3492352 0.76 PDE5A (0.69) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL43869 0.76 PDE5A (0.52) PDE5ACCNE2CCNE1CDK2CCNB2
SCHEMBL37776 0.75 PDE5A (0.61) PDE5ACCNE2CCNE1CDK2CCNB2
SCHEMBL3492211 0.75 PDE5A (0.67) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL37886 0.75 PDE5A (0.59) PDE5ACCNE2CCNE1CDK2CCNB2
SCHEMBL16175769 0.74 PDE5A (0.63) PDE5ACCNE2CCNE1CDK2CCNB2
SCHEMBL4518642 0.72 PIP4K2A (0.66) PDE5ACCNE2CCNE1CDK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012004900-A1 THIENOPYRIMIDINE COMPOUNDS ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 WO disclosed