SCHEMBL38093

SCHEMBL38093

O=C(O)c1cc2nc(CC3=CCCCC3)[nH]c(=O)c2s1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.55
CDC7 O00311 12/20 0.35
ROCK1 Q13464 12/20 0.35
DBF4 Q9UBU7 12/20 0.35
CCNE1 P24864 5/20 0.35
CDK2 P24941 5/20 0.35
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL3494101 0.82 PDE5A (0.55) PDE5ARAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL3491807 0.79 PDE5A (0.56) PDE5ARAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL38005 0.77 PDE5A (0.69) PDE5ACDC7ROCK1DBF4CCNE1
SCHEMBL37513 0.76 PDE5A (0.79) PDE5ACDC7ROCK1DBF4CCNE1
SCHEMBL37942 0.76 PDE5A (0.78) PDE5ARAB9ALMNASMN1; SMN2KDM4E
SCHEMBL44227 0.76 PDE5A (0.67) PDE5ACDC7ROCK1DBF4CCNE1
SCHEMBL37536 0.73 PDE5A (0.60) PDE5ACDC7ROCK1DBF4CCNE1
SCHEMBL37981 0.73 PDE5A (0.66) PDE5ACDC7ROCK1DBF4CCNE1
SCHEMBL38116 0.73 PDE5A (0.63) PDE5ARAB9ALMNASMN1; SMN2KDM4E
SCHEMBL3491341 0.72 ALDH1A1 (0.52) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1

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