SCHEMBL29547396

SCHEMBL29547396

CC1(C)OB(c2ccc3c4cnccc4n(C(F)F)c3c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.38
LPL P06858 4/20 0.34
LIPG Q9Y5X9 4/20 0.34
F11 P03951 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
EGFR P00533 1/20 0.30
CSF1R P07333 1/20 0.30

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
SCHEMBL22907359 1.00 IRAK4 (0.38) IRAK4LPLLIPGF11F2
SCHEMBL29547675 0.83 IRAK4 (0.40) IRAK4LPLLIPGF11PRMT5
SCHEMBL20120904 0.83 IRAK4 (0.40) IRAK4LPLLIPGF11PRMT5
SCHEMBL27098819 0.78 ROCK2 (0.39) IRAK4PRMT5WDR77
SCHEMBL20120376 0.78 IRAK4 (0.37) IRAK4LPLLIPGF11F2
SCHEMBL22907248 0.77 LPL (0.38) IRAK4LPLLIPGPRMT5WDR77
SCHEMBL22906574 0.75 ACHE (0.40) EGFR
SCHEMBL20045112 0.75 LPL (0.41) IRAK4LPLLIPGPRMT5WDR77
SCHEMBL20710303 0.73 IRAK4 (0.35) IRAK4LPLLIPGF11IDO1
SCHEMBL16597589 0.73 PRMT5 (0.42) IRAK4F11F2F10PRMT5

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
EP-3999182-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2022-05-25 EP disclosed