SCHEMBL2321757

SCHEMBL2321757

COC(=O)c1nc2c(C3CC3)c(C)c(C3CC3)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.41
PDK4 Q16654 1/20 0.41
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
RIPK1 Q13546 1/20 0.34
RHEB Q15382 1/20 0.33
SLC6A3 Q01959 2/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
JAK3 P52333 2/20 0.32
RBP4 P02753 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
BRD4 O60885 1/20 0.31
PLAT P00750 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CBLB Q13191 1/20 0.31

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
SCHEMBL21201201 0.75 PDK2 (0.48) PDK2PDK4RIPK1HRH4CBLB
SCHEMBL2318818 0.74 RHEB (0.39) RHEB
SCHEMBL24020387 0.66 HRH4 (0.56) RHEBALDH1A1HRH4HTTL3MBTL1
SCHEMBL31424595 0.65 PDK2 (0.39) PDK2PDK4RIPK1JAK2JAK1
SCHEMBL7701684 0.64 HRH4 (0.56) KDM4EALDH1A1HRH4HSD17B10HPGD
SCHEMBL31068649 0.64 EGLN1 (0.45) KDM4EALDH1A1HRH4LMNAHTT
SCHEMBL6323065 0.62 PIM3 (0.41) KDM4EHTT
SCHEMBL2318935 0.62 EGLN1 (0.47) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL30280904 0.61 PDK2 (0.41) PDK2PDK4SLC6A3KDM4EALDH1A1
SCHEMBL7705454 0.61 PIN1 (0.53) RHEBKDM4EALDH1A1HRH4LMNA

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-2011097491-A1 BENZIMIDAZOLE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-08-11 WO disclosed