SCHEMBL6923933

SCHEMBL6923933

CCCCCNc1cc(-c2ccnc(NCCCCC)c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.55
DNM2 P50570 4/20 0.50
TLR8 Q9NR97 1/20 0.50
SOAT1 P35610 2/20 0.46
MAPK14 Q16539 1/20 0.46
HCAR3 P49019 1/20 0.45
DRD2 P14416 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
KARS1 Q15046 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
MAP4K4 O95819 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL6925226 0.91 TLR8 (0.50) HRH4DNM2TLR8SOAT1MAPK14
SCHEMBL7108041 0.84 KDM4E (0.56) HRH4DNM2TLR8HCAR3ADRA1A
SCHEMBL4562794 0.84 HRH4 (0.48) HRH4DNM2TLR8SOAT1MAPK14
SCHEMBL18386507 0.83 KDM4E (0.58) HRH4DNM2TLR8SOAT1ADRA1A
SCHEMBL26686229 0.81 DNM2 (0.50) HRH4DNM2TLR8SOAT1HCAR3
SCHEMBL31690831 0.81 GSK3B (0.53) HRH4DNM2MAP4K4
SCHEMBL26686269 0.80 JAK2 (0.50) HRH4TLR8MAP4K4
SCHEMBL2961051 0.79 HRH4 (0.48) HRH4DNM2TLR8SOAT1HCAR3
SCHEMBL11344402 0.79 NPC1 (0.48) HRH4DNM2TLR8MAPK14KARS1
SCHEMBL11346869 0.79 NPC1 (0.48) HRH4DNM2TLR8MAPK14KARS1

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-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 WO disclosed