SCHEMBL8818545

SCHEMBL8818545

Cc1cccc(-c2nc3c(Cc4ccccc4C(F)(F)F)cc(OCCN(C)C)cc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK3 O43781 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ PKN2 Q16513 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45
▸ BRSK1 Q8TDC3 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ HIPK2 Q9H2X6 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45
▸ MAP4K5 Q9Y4K4 1/20 0.45
▸ ACHE P22303 4/20 0.43
▸ UTS2R Q9UKP6 1/20 0.39
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 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
SCHEMBL8818531 0.96 CHEK2 (0.41) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8818801 0.91 ACHE (0.44) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8816922 0.90 ACHE (0.43) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8077963 0.87 MAP4K4 (0.49) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8818678 0.86 DYRK3 (0.48) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8816636 0.85 ACHE (0.39) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8916477 0.85 PPARG (0.37) MGAMGAASIMGAM2NR1I3
SCHEMBL8817526 0.85 NR1I3 (0.34) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8817619 0.85 ACHE (0.40) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8077969 0.82 CHEK2 (0.45) 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 2 patents. 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 claimed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
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