SCHEMBL38065

SCHEMBL38065

O=C(O)c1cc2nc(Cc3cccc(F)c3)[nH]c(=O)c2s1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.77
HCAR2 Q8TDS4 1/20 0.46
RAB9A P51151 1/20 0.45
CDC7 O00311 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
ROCK1 Q13464 2/20 0.42
DBF4 Q9UBU7 2/20 0.42
KMT2A Q03164 1/20 0.42
RNASEH1 O60930 1/20 0.42
MAOB P27338 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 0.88 PDE5A (0.79) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL37583 0.88 PDE5A (0.78) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL44227 0.87 PDE5A (0.67) PDE5ARAB9ACDC7CCNE1CDK2
SCHEMBL37798 0.87 PDE5A (1.00) PDE5AHCAR2RAB9ACDC7CCNE1
SCHEMBL38178 0.87 PDE5A (0.77) PDE5AHCAR2RAB9ACDC7CCNE1
SCHEMBL10083509 0.86 PDE5A (0.58) PDE5ARAB9ACDC7CCNE1CDK2
SCHEMBL37797 0.86 PDE5A (0.72) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL46310 0.83 PDE5A (0.74) PDE5ARAB9ACDC7CCNE1CDK2
SCHEMBL3494817 0.82 PDE5A (0.77) PDE5AHCAR2RAB9AKMT2ARNASEH1
SCHEMBL38005 0.81 PDE5A (0.69) PDE5ACDC7CCNE1CDK2ROCK1

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