SCHEMBL28877894

SCHEMBL28877894

CC(O)Cn1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
LPL P06858 9/20 0.35
LIPG Q9Y5X9 9/20 0.35
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 2/20 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
SCHEMBL23633173 0.90 LPL (0.36) FFAR1LPLLIPGIDO1TDO2
SCHEMBL31394025 0.86 IDO1 (0.39) FFAR1LPLLIPGROCK1IDO1
SCHEMBL17113584 0.83 LPL (0.41) FFAR1LPLLIPGIDO1TDO2
SCHEMBL23638441 0.82 FFAR1 (0.39) FFAR1LPLLIPGROCK1IDO1
SCHEMBL30928610 0.82 IDO1 (0.39) FFAR1LPLLIPGROCK1IDO1
SCHEMBL31394882 0.81 LPL (0.43) FFAR1LPLLIPGIDO1TDO2
SCHEMBL17437290 0.81 FFAR1 (0.57) FFAR1LPLLIPGIDO1TDO2
SCHEMBL30041230 0.79 ESR2 (0.40) FFAR1LPLLIPGIDO1TDO2
SCHEMBL17113535 0.78 IRAK4 (0.39) FFAR1LPLLIPGIDO1TDO2
SCHEMBL23529729 0.78 SNCA (0.38) FFAR1LPLLIPGIDO1TDO2

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