SCHEMBL8818630

SCHEMBL8818630

Cc1ccc(-c2nc3c(Cc4ccccc4Br)cc(OCCCN(C)C)cc3[nH]2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.41
▸ ACHE P22303 3/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ PKN2 Q16513 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ BRSK1 Q8TDC3 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ HIPK2 Q9H2X6 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ MAP4K5 Q9Y4K4 1/20 0.40
▸ LSS P48449 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ CXCR1 P25024 1/20 0.35
▸ ATP4A P20648 1/20 0.35

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
SCHEMBL8814784 0.95 ACHE (0.45) CHEK2ACHEDYRK3MAP4K4PIM1
SCHEMBL8077969 0.89 CHEK2 (0.45) CHEK2ACHEDYRK3MAP4K4PIM1
SCHEMBL8818796 0.89 CHEK2 (0.40) CHEK2ACHEDYRK3MAP4K4PIM1
SCHEMBL8817108 0.88 ACHE (0.48) ACHEDYRK3MAP4K4PIM1RPS6KB1
SCHEMBL8816636 0.87 ACHE (0.39) CHEK2ACHEDYRK3MAP4K4PIM1
SCHEMBL8818782 0.86 KDM4E (0.35) CHEK2ACHEDYRK3MAP4K4PIM1
SCHEMBL8077963 0.85 MAP4K4 (0.49) CHEK2ACHEDYRK3MAP4K4PIM1
SCHEMBL8075125 0.84 ACHE (0.45) CHEK2ACHEDYRK3MAP4K4PIM1
SCHEMBL8079418 0.84 PARP1 (0.41) CHEK2ACHEDYRK3MAP4K4PIM1
SCHEMBL8814966 0.84 KDM4E (0.35) CHEK2ACHEDYRK3MAP4K4PIM1

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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