SCHEMBL38484

SCHEMBL38484

CCOC(=O)c1cc2nc(Cc3ccc(Cl)c(Cl)c3)[nH]c(=O)c2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.57
RNASEH1 O60930 1/20 0.49
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
CDC7 O00311 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
ROCK1 Q13464 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
KCNH2 Q12809 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PIP4K2A P48426 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL46296 0.91 PDE5A (0.56) PDE5ARNASEH1CDC7CCNE1CDK2
SCHEMBL10084040 0.90 PDE5A (0.59) PDE5AALOX5CDC7CCNE1CDK2
SCHEMBL46289 0.87 PDE5A (0.76) PDE5APTGESALOX5CDC7CCNE1
SCHEMBL46456 0.86 PDE5A (0.57) PDE5ARNASEH1PTGESALOX5CDC7
SCHEMBL38373 0.85 PDE5A (0.61) PDE5ARNASEH1CDC7CCNE1CDK2
SCHEMBL38180 0.84 PDE5A (0.60) PDE5ARNASEH1CDC7CCNE1CDK2
SCHEMBL4522382 0.84 PDE5A (0.57) PDE5ARNASEH1PTGESALOX5KMT2A
SCHEMBL10083509 0.83 PDE5A (0.58) PDE5APTGESALOX5CDC7CCNE1
SCHEMBL46291 0.82 PDE5A (0.50) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL38035 0.80 PDE5A (0.55) PDE5ARNASEH1CDC7CCNE1CDK2

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