SCHEMBL8818534

SCHEMBL8818534

Cc1cccc(-c2nc3c(Cc4ccccc4Br)cc(OC(C)CN(C)C)cc3[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.38
▸ NR1I3 Q14994 1/20 0.36
▸ MAPK14 Q16539 4/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ PKN2 Q16513 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ BRSK1 Q8TDC3 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ HIPK2 Q9H2X6 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ MAP4K5 Q9Y4K4 1/20 0.35
▸ ADORA2A P29274 3/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ RPS6KA3 P51812 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
SCHEMBL8818537 0.93 RPS6KA3 (0.34) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8814966 0.89 KDM4E (0.35) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8817526 0.88 NR1I3 (0.34) PTGESNR1I3MAPK14DYRK3MAP4K4
SCHEMBL8077963 0.85 MAP4K4 (0.49) PTGESNR1I3DYRK3MAP4K4PIM1
SCHEMBL8077969 0.84 CHEK2 (0.45) PTGESNR1I3DYRK3MAP4K4PIM1
SCHEMBL8816591 0.81 NR1I3 (0.50) PTGESNR1I3PARP1RPS6KA3MGAM
SCHEMBL8818857 0.79 PTGES (0.44) PTGESNR1I3MAPK14PARP1RPS6KA3
SCHEMBL8814868 0.78 PRMT5 (0.32) PTGESMGAMGAASIMGAM2
SCHEMBL8075125 0.77 ACHE (0.45) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8818796 0.76 CHEK2 (0.40) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1

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-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
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