SCHEMBL37513

SCHEMBL37513

O=C(O)c1cc2nc(Cc3ccccc3)[nH]c(=O)c2s1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.79
KMT2A Q03164 2/20 0.55
RNASEH1 O60930 2/20 0.53
CDC7 O00311 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
ROCK1 Q13464 2/20 0.47
DBF4 Q9UBU7 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ADORA3 P0DMS8 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
DAO P14920 1/20 0.43

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 0.90 PDE5A (0.69) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL37583 0.89 PDE5A (0.78) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL44227 0.89 PDE5A (0.67) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL37942 0.89 PDE5A (0.78) PDE5AKMT2ARNASEH1KDM4E
SCHEMBL38065 0.88 PDE5A (0.77) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL38178 0.88 PDE5A (0.77) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL37798 0.88 PDE5A (1.00) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL38373 0.86 PDE5A (0.61) PDE5AKMT2ARNASEH1CDC7CCNE1
SCHEMBL37797 0.85 PDE5A (0.72) PDE5AKMT2ACDC7CCNE1CDK2
SCHEMBL37981 0.85 PDE5A (0.66) 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 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