SCHEMBL21920360

SCHEMBL21920360

Cn1cccc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 9/20 0.41
▸ LPL P06858 8/20 0.41
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ BTK Q06187 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ ITGB1 P05556 1/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ ITGB7 P26010 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32

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
SCHEMBL30088158 1.00 LIPG (0.41) LIPGLPLPRMT5WDR77IDO1
SCHEMBL17644493 0.85 LIPG (0.51) LIPGLPLPRMT5WDR77HRH3
SCHEMBL15456756 0.80 LIPG (0.58) LIPGLPLPRMT5WDR77IRAK4
SCHEMBL30863683 0.77 LIPG (0.59) LIPGLPLPRMT5WDR77IRAK4
SCHEMBL806784 0.76 LIPG (0.60) LIPGLPLIRAK4
SCHEMBL31456342 0.75 LIPG (0.58) LIPGLPLIRAK4
SCHEMBL20023287 0.75 LIPG (0.58) LIPGLPLIRAK4
SCHEMBL31456345 0.75 LIPG (0.58) LIPGLPLIRAK4
SCHEMBL20658766 0.75 LIPG (0.51) LIPGLPLPRMT5WDR77IRAK4
SCHEMBL25681062 0.75 LIPG (0.56) LIPGLPLPRMT5WDR77IRAK4

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
CN-113015526-A Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof 豪夫迈·罗氏有限公司 2021-06-22 — — CN disclosed
WO-2020061377-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-03-26 — — WO disclosed
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