SCHEMBL37981

SCHEMBL37981

O=C(O)c1cc2nc(Cc3ccsc3)[nH]c(=O)c2s1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.66
PNP P00491 3/20 0.45
KMT2A Q03164 1/20 0.39
CDC7 O00311 4/20 0.38
CCNE1 P24864 4/20 0.38
CDK2 P24941 4/20 0.38
ROCK1 Q13464 4/20 0.38
DBF4 Q9UBU7 4/20 0.38
RNASEH1 O60930 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL46291 0.86 PDE5A (0.50) PDE5APNPKMT2ACDC7CCNE1
SCHEMBL37513 0.85 PDE5A (0.79) PDE5AKMT2ACDC7CCNE1CDK2
SCHEMBL38005 0.83 PDE5A (0.69) PDE5AKMT2ACDC7CCNE1CDK2
SCHEMBL37942 0.82 PDE5A (0.78) PDE5AKMT2ARNASEH1KDM4ELMNA
SCHEMBL44227 0.82 PDE5A (0.67) PDE5AKMT2ACDC7CCNE1CDK2
SCHEMBL3493860 0.81 PDE5A (0.66) PDE5APNPKMT2ARNASEH1KDM4E
SCHEMBL37583 0.81 PDE5A (0.78) PDE5AKMT2ACDC7CCNE1CDK2
SCHEMBL12505649 0.81 PDE5A (0.65) PDE5AKMT2ACDC7CCNE1CDK2
SCHEMBL37798 0.80 PDE5A (1.00) PDE5AKMT2ACDC7CCNE1CDK2
SCHEMBL38178 0.80 PDE5A (0.77) PDE5AKMT2ACDC7CCNE1CDK2

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