SCHEMBL18645205

SCHEMBL18645205

CC(C)(C)OC(=O)N1CCCC(Cn2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)nccc32)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.55
▸ FEN1 P39748 1/20 0.46
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ BCHE P06276 3/20 0.43
▸ HPGDS O60760 2/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ PRMT5 O14744 3/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PARP1 P09874 2/20 0.39
▸ PARP2 Q9UGN5 2/20 0.39
▸ USP30 Q70CQ3 2/20 0.39

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
SCHEMBL18645213 0.86 HTR6 (0.47) HTR6JAK2JAK1BCHEHPGDS
SCHEMBL18645206 0.84 HTR6 (0.53) HTR6FEN1BCHEHPGDSACKR3
SCHEMBL18644664 0.83 JAK2 (0.49) HTR6JAK2JAK1HPGDSPARP1
SCHEMBL18818205 0.79 HRH3 (0.39) HTR6PRMT5
SCHEMBL18289976 0.79 HTR6 (0.40) HTR6JAK2JAK1HPGDSPRMT5
SCHEMBL18818206 0.79 HRH3 (0.39) HTR6PRMT5
SCHEMBL30111801 0.79 HTR6 (0.40) HTR6JAK2JAK1HPGDSPRMT5
SCHEMBL16341186 0.78 HTR6 (0.46) HTR6JAK2JAK1BCHEHPGDS
SCHEMBL15171260 0.78 HTR6 (0.46) HTR6JAK2JAK1BCHEHPGDS
SCHEMBL18645204 0.77 ACKR3 (0.49) HTR6JAK2JAK1BCHEACKR3

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-2017041536-A1 OXO-DIHYDROIMIDAZO PYRIDINE COMPOUND AND APPLICATIONS THEREOF 东莞市真兴贝特医药技术有限公司 2017-03-16 — — WO disclosed
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