SCHEMBL5745889

SCHEMBL5745889

CCCCCCCCCCc1cccc2nc[c]cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.47
LIPG Q9Y5X9 1/20 0.41
KCNH2 Q12809 1/20 0.40
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 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
SCHEMBL5748291 1.00 TLR8 (0.47) TLR8LIPGKCNH2BIDMCL1
SCHEMBL5748687 1.00 TLR8 (0.47) TLR8LIPGKCNH2BIDMCL1
SCHEMBL294837 0.94 TLR8 (0.41) TLR8LIPGTLR7ALOX5PTGS2
SCHEMBL5746491 0.81 MEN1 (0.38)
SCHEMBL6114780 0.78 TLR8 (0.51) TLR8LIPGKCNH2BIDMCL1
SCHEMBL6115265 0.78 TLR8 (0.51) TLR8LIPGKCNH2BIDMCL1
SCHEMBL6115015 0.78 TLR8 (0.51) TLR8LIPGKCNH2BIDMCL1
SCHEMBL6114419 0.78 TLR8 (0.51) TLR8LIPGKCNH2BIDMCL1
SCHEMBL6115077 0.78 TLR8 (0.51) TLR8LIPGKCNH2BIDMCL1
SCHEMBL6114918 0.78 TLR8 (0.51) TLR8LIPGKCNH2BIDMCL1

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed