SCHEMBL6168059

SCHEMBL6168059

CCCCCNc1nc(CC)c(I)nc1CC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.46
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SLC29A1 Q99808 2/20 0.38
TLR7 Q9NYK1 4/20 0.37
KCNH3 Q9ULD8 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
S1PR2 O95136 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.34
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 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
SCHEMBL6165652 0.79 TLR8 (0.41) TLR8KDM4EALDH1A1HPGDSLC29A1
SCHEMBL6168023 0.78 KDM4E (0.40) TLR8KDM4EALDH1A1HPGDSLC29A1
SCHEMBL6166426 0.70 NPSR1 (0.39) TLR8KDM4EALDH1A1HPGDSLC29A1
SCHEMBL6166433 0.69 S1PR2 (0.41) TLR8KDM4EALDH1A1HPGDSLC29A1
SCHEMBL6204833 0.69 CCR4 (0.42) TLR8KDM4EALDH1A1HPGDSLC29A1
SCHEMBL7469231 0.69 TLR8 (0.41) TLR8KCNH3
SCHEMBL6203304 0.68 UTS2R (0.44) TLR8KDM4ESLC29A1TLR7NPSR1
SCHEMBL514975 0.64 KCNH3 (0.63) ALDH1A1SLC29A1KCNH3NPSR1KMT2A
SCHEMBL2852499 0.63 TLR8 (1.00) TLR8TLR7
SCHEMBL9774909 0.62 SMN1; SMN2 (0.51) TLR8KDM4EALDH1A1HPGDSLC29A1

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
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 EP disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 WO disclosed