SCHEMBL28877925

SCHEMBL28877925

CC1(CO)Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.38
LPL P06858 12/20 0.38
ROCK1 Q13464 1/20 0.37
F11 P03951 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.33
HIF1A Q16665 1/20 0.32
ESR2 Q92731 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL14230881 0.81 LPL (0.41) LIPGLPLROCK1F11ESR2
SCHEMBL29175433 0.79 ROCK1 (0.33) LIPGLPLROCK1IRAK4
SCHEMBL25513578 0.76 IRAK4 (0.36) IRAK4
SCHEMBL9983507 0.75 AKR1B1 (0.41) IRAK4CA1CA2
SCHEMBL30785273 0.75 IRAK4 (0.35) IRAK4
SCHEMBL28877912 0.75 IRAK4 (0.35) IRAK4
SCHEMBL31430390 0.73 HDAC3 (0.36) LIPGLPLROCK1
SCHEMBL14792954 0.72 LPL (0.39) LIPGLPLROCK1F11IRAK4
SCHEMBL19585596 0.72 ROCK1 (0.35) LIPGLPLROCK1F11IRAK4
SCHEMBL483159 0.71 LPL (0.43) LIPGLPLROCK1F11IRAK4

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