SCHEMBL44227

SCHEMBL44227

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.67
RAB9A P51151 1/20 0.50
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
KMT2A Q03164 1/20 0.42
RNASEH1 O60930 2/20 0.41
CDC7 O00311 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ROCK1 Q13464 1/20 0.40
DBF4 Q9UBU7 1/20 0.40

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
SCHEMBL38005 0.89 PDE5A (0.69) PDE5AALDH1A1KMT2ARNASEH1CDC7
SCHEMBL37513 0.89 PDE5A (0.79) PDE5AALDH1A1RXFP1KMT2ARNASEH1
SCHEMBL37942 0.88 PDE5A (0.78) PDE5ARAB9ALMNAKMT2ARNASEH1
SCHEMBL38065 0.87 PDE5A (0.77) PDE5ARAB9AKMT2ARNASEH1CDC7
SCHEMBL46310 0.85 PDE5A (0.74) PDE5ARAB9ALMNARNASEH1CDC7
SCHEMBL10083476 0.85 PDE5A (0.51) PDE5ARAB9ALMNAALDH1A1HPGD
SCHEMBL37981 0.82 PDE5A (0.66) PDE5ARAB9ALMNAKMT2ARNASEH1
SCHEMBL12505649 0.81 PDE5A (0.65) PDE5ARAB9ALMNAKMT2ARNASEH1
SCHEMBL37583 0.81 PDE5A (0.78) PDE5AALDH1A1KMT2ARNASEH1CDC7
SCHEMBL38235 0.81 PDE5A (0.62) PDE5ARAB9ALMNAALDH1A1RXFP1

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