SCHEMBL8016347

SCHEMBL8016347

CCCCCc1nc(-c2ccc(N)cc2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.47
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSK3B P49841 1/20 0.39
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
HRH2 P25021 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SPNS2 Q8IVW8 1/20 0.36

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
SCHEMBL8012182 0.95 TLR8 (0.44) TLR8MAPTKDM4ERAB9AMEN1
SCHEMBL8012754 0.89 SREBF2 (0.41) TLR8MAPTKDM4ERAB9AMEN1
SCHEMBL4814536 0.84 GPR84 (0.42) TLR8MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL11297462 0.83 GPR84 (0.44) TLR8MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL22585763 0.83 RAD52 (0.44) TLR8MAPTKDM4ERAB9AMEN1
SCHEMBL2946753 0.83 GPR84 (0.44) TLR8MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL8012285 0.82 TLR8 (0.39) TLR8MAPTKDM4ERAB9AMEN1
SCHEMBL13277717 0.80 GSK3B (0.43) TLR8RAB9AALDH1A1SMN1; SMN2GSK3B
SCHEMBL6618330 0.80 GSK3B (0.44) TLR8MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL4812369 0.79 XDH (0.40) MAPTKDM4ERAB9AMEN1USP2

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
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed