SCHEMBL29985602

SCHEMBL29985602

CC(C)(O)Cn1cc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.40
TLR8 Q9NR97 2/20 0.37
NUDT1 P36639 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SLC6A2 P23975 1/20 0.35
FFAR1 O14842 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
CRHR1 P34998 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL10109755 0.86 ADORA2A (0.40) SLC6A2HDAC8CRHR1
SCHEMBL17448068 0.79 KLKB1 (0.37) TLR7TLR8PDE10AFFAR1IRAK4
SCHEMBL31429234 0.79 PDE10A (0.40) PDE10ASLC6A2HDAC8CRHR1IRAK4
SCHEMBL31219820 0.78 IRAK4 (0.36) PDE10AFFAR1IRAK4
SCHEMBL26983072 0.78 HDAC8 (0.38) PDE10AFFAR1HDAC8IRAK4
SCHEMBL11604153 0.76 HDAC8 (0.38) SLC6A2HDAC8CRHR1
SCHEMBL5764690 0.76 SLC6A2 (0.43) TLR7TLR8SLC6A2HDAC8
SCHEMBL17453073 0.75 NPC1 (0.34) PDE10AFFAR1IRAK4
SCHEMBL28166543 0.75 GABRP (0.37) SLC6A2HDAC8CRHR1IRAK4
SCHEMBL29110339 0.74 NPC1 (0.42) IRAK4

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
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