SCHEMBL3399437

SCHEMBL3399437

Nc1nncc(-c2ccccc2OCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.51
TLR4 O00206 1/20 0.47
TLR3 O15455 1/20 0.47
TLR5 O60602 1/20 0.47
TLR2 O60603 1/20 0.47
CAMK2B Q13554 1/20 0.47
CAMK2G Q13555 1/20 0.47
CAMK2D Q13557 1/20 0.47
CAMK1 Q14012 1/20 0.47
CAMK4 Q16566 1/20 0.47
PNCK Q6P2M8 1/20 0.47
CAMK1D Q8IU85 1/20 0.47
CAMK1G Q96NX5 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
IDO1 P14902 1/20 0.47
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL3397291 0.83 MAOB (0.47) TLR8MAOBMAPK1PDE5A
SCHEMBL28509535 0.80 LTA4H (0.53) BRD4TLR4TLR3TLR5TLR2
SCHEMBL30507524 0.80 LTA4H (0.53) BRD4TLR4TLR3TLR5TLR2
SCHEMBL13425651 0.80 CYP1A2 (0.49) TLR4TLR3TLR5TLR2CAMK2B
SCHEMBL3394031 0.78 NCOA1 (0.44) BRD4MAOB
SCHEMBL3393346 0.78 HSP90AA1 (0.59) MAPTATP4AATP4B
SCHEMBL3398136 0.78 XDH (0.54) MAOBMAPTL3MBTL1
SCHEMBL975971 0.76 DCPS (0.53) BRD4TLR4TLR3TLR5TLR2
SCHEMBL9566443 0.75 BRD4 (0.57) BRD4TLR4TLR3TLR5TLR2
SCHEMBL3397491 0.75 BACE1 (0.57) MAOBMAPT

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed