SCHEMBL30895264

SCHEMBL30895264

Cc1nn(C(F)(F)F)c2cc(B3OC(C)(C)C(C)(C)O3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
LPL P06858 8/20 0.37
LIPG Q9Y5X9 8/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
EGFR P00533 2/20 0.34
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
CSF1R P07333 1/20 0.34
F2 P00734 1/20 0.34
F11 P03951 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ROCK1 Q13464 1/20 0.32
FFAR1 O14842 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
SCHEMBL30895247 0.90 IDO1 (0.38) IRAK4LPLLIPGIDO1TDO2
SCHEMBL31651744 0.81 ADORA2A (0.46) IRAK4LPLLIPGIDO1TDO2
SCHEMBL11165 0.81 ADORA2A (0.46) IRAK4LPLLIPGIDO1TDO2
SCHEMBL30895268 0.78 IRAK4 (0.35) IRAK4LPLLIPGFFAR1
SCHEMBL793617 0.75 IRAK4 (0.40) IRAK4LPLLIPGIDO1TDO2
SCHEMBL21025774 0.75 IRAK4 (0.40) IRAK4LPLLIPGIDO1TDO2
SCHEMBL17678142 0.73 IRAK4 (0.38) IRAK4LPLLIPGIDO1TDO2
SCHEMBL17678135 0.73 IRAK4 (0.38) IRAK4LPLLIPGIDO1TDO2
SCHEMBL21026014 0.73 IRAK4 (0.38) IRAK4LPLLIPGIDO1TDO2
SCHEMBL152838 0.72 PRMT5 (0.45) IRAK4IDO1TDO2PRMT5WDR77

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
EP-4608507-A1 COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS Neurocrine Biosciences, Inc. (US) 2025-09-03 EP disclosed
WO-2024091538-A1 COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS NEUROCRINE BIOSCIENCES, INC. (US) 2024-05-02 WO disclosed