SCHEMBL46291

SCHEMBL46291

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.50
CDC7 O00311 5/20 0.42
DBF4 Q9UBU7 5/20 0.42
CCNE1 P24864 3/20 0.42
CDK2 P24941 3/20 0.42
ROCK1 Q13464 3/20 0.42
PNP P00491 1/20 0.41
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
PKM P14618 2/20 0.36
RAB9A P51151 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL38373 0.86 PDE5A (0.61) PDE5ACDC7DBF4CCNE1CDK2
SCHEMBL37981 0.86 PDE5A (0.66) PDE5ACDC7DBF4CCNE1CDK2
SCHEMBL10084040 0.84 PDE5A (0.59) PDE5ACDC7DBF4CCNE1CDK2
SCHEMBL4511837 0.83 PDE5A (0.50) PDE5ACDC7DBF4PNPTSHR
SCHEMBL46453 0.82 KDM4E (0.50) PDE5ACDC7DBF4CCNE1CDK2
SCHEMBL38484 0.82 PDE5A (0.57) PDE5ACDC7DBF4CCNE1CDK2
SCHEMBL10083509 0.82 PDE5A (0.58) PDE5ACDC7DBF4CCNE1CDK2
SCHEMBL46289 0.82 PDE5A (0.76) PDE5ACDC7DBF4CCNE1CDK2
SCHEMBL46296 0.80 PDE5A (0.56) PDE5ACDC7DBF4CCNE1CDK2
SCHEMBL3494152 0.76 KMT2A (0.63) LMNAL3MBTL1HSD17B10MEN1KMT2A

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