SCHEMBL38005

SCHEMBL38005

O=C(O)c1cc2nc(Cc3ccc(Br)cc3)[nH]c(=O)c2s1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.69
KMT2A Q03164 2/20 0.43
RNASEH1 O60930 3/20 0.42
CDC7 O00311 4/20 0.39
CCNE1 P24864 4/20 0.39
CDK2 P24941 4/20 0.39
ROCK1 Q13464 4/20 0.39
DBF4 Q9UBU7 4/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL37513 0.90 PDE5A (0.79) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL37942 0.89 PDE5A (0.78) PDE5AKMT2ARNASEH1KDM4E
SCHEMBL44227 0.89 PDE5A (0.67) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL38178 0.89 PDE5A (0.77) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL37536 0.83 PDE5A (0.60) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL37981 0.83 PDE5A (0.66) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL37583 0.82 PDE5A (0.78) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL12505649 0.82 PDE5A (0.65) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL46310 0.82 PDE5A (0.74) PDE5ARNASEH1CDC7CCNE1CDK2
SCHEMBL37798 0.81 PDE5A (1.00) PDE5AKMT2ARNASEH1CDC7CCNE1

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