SCHEMBL28877941

SCHEMBL28877941

CC(CO)n1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 10/20 0.35
LIPG Q9Y5X9 10/20 0.35
FFAR1 O14842 1/20 0.34
ROCK1 Q13464 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
ESR2 Q92731 1/20 0.34
SNCA P37840 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
F11 P03951 1/20 0.33
EGFR P00533 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL17113535 0.86 IRAK4 (0.39) LPLLIPGFFAR1IDO1TDO2
SCHEMBL31752127 0.82 IDO1 (0.39) LPLLIPGFFAR1ROCK1IDO1
Acetic Acid SCHEMBL25322169 0.81 IDO1 (0.37) LPLLIPGROCK1IDO1TDO2
Acetic Acid SCHEMBL25322175 0.80 IDO1 (0.35) LPLLIPGFFAR1ROCK1IDO1
SCHEMBL28877860 0.79 SNCA (0.36) LPLLIPGROCK1IDO1TDO2
SCHEMBL28877894 0.78 FFAR1 (0.37) LPLLIPGFFAR1ROCK1IDO1
SCHEMBL23638441 0.78 FFAR1 (0.39) LPLLIPGFFAR1ROCK1IDO1
SCHEMBL23633173 0.78 LPL (0.36) LPLLIPGFFAR1IDO1TDO2
SCHEMBL907049 0.76 KDM4E (0.40) LPLLIPGIDO1TDO2SNCA
SCHEMBL21801802 0.76 IRAK4 (0.42) LPLLIPGFFAR1IDO1TDO2

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
WO-2022206730-A1 PYRIMIDOPYRAZINE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-10-06 WO disclosed
CN-115141202-A Pyrimidopyrazinone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-04 CN disclosed