SCHEMBL7479010

SCHEMBL7479010

CCCCNc1ncccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.51
TLR7 Q9NYK1 3/20 0.51
UTS2R Q9UKP6 6/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 1/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FLT3 P36888 3/20 0.41
TYRO3 Q06418 3/20 0.41
MERTK Q12866 3/20 0.41
GAS6 Q14393 3/20 0.41
AXL P30530 2/20 0.41
SYK P43405 1/20 0.41
S1PR2 O95136 1/20 0.41

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
SCHEMBL11666495 0.95 UTS2R (0.48) TLR8TLR7UTS2RCYP3A4CYP2D6
SCHEMBL7464659 0.89 ALDH1A1 (0.55) TLR8TLR7UTS2RCYP3A4CYP2D6
SCHEMBL7468377 0.82 GRM5 (0.43) UTS2RCYP3A4CYP2D6NPC1KDM4E
SCHEMBL26686723 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10FLT3
SCHEMBL31420488 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10FLT3
SCHEMBL6439936 0.81 TLR8 (0.52) TLR8TLR7UTS2RCYP3A4CYP2D6
SCHEMBL18356238 0.79 KDM4E (0.47) CYP3A4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29882733 0.79 KDM4E (0.47) CYP3A4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13931357 0.79 SYK (0.46) CYP2D6NPC1KDM4EALDH1A1HPGD
SCHEMBL1255125 0.78 UTS2R (0.48) TLR7UTS2RCYP3A4NPC1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0963986-B1 5,10-Dihydrodipyrido(2,3-b:2,3-e)pyrazine and 5,10-dihydro(2,3-b:3,2-e)pyrazine, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-04-17 EP disclosed
US-6127369-A 5,10-dihydrodipyrido[2,3-b:2,3-e]pyrazin and 5,10-dihydrodipyrido[2,3-b:3,2-e]pyrazin compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed
EP-0963986-A2 5,10-Dihydrodipyrido(2,3-b:2,3-e)pyrazine and 5,10-dihydro(2,3-b:3,2-e)pyrazine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-12-15 EP disclosed