SCHEMBL29907699

SCHEMBL29907699

FC(F)(F)Oc1cccnc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
SCN9A Q15858 2/20 0.37
CGAS Q8N884 1/20 0.36
DYRK1A Q13627 1/20 0.36
ALPL P05186 1/20 0.36
HCRTR1 O43613 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL364512 1.00 S1PR4 (0.41) S1PR4SLC40A1TLR7TRIM24TRIM33
SCHEMBL364488 0.88 S1PR4 (0.41) S1PR4SLC40A1TLR7TRIM24TRIM33
SCHEMBL364523 0.85 S1PR4 (0.40) S1PR4SLC40A1TLR7TRIM24TRIM33
SCHEMBL5582737 0.82 S1PR4 (0.41) S1PR4TLR7TRIM24TRIM33NPC1
SCHEMBL25352141 0.80 S1PR4 (0.37) S1PR4TRIM24TRIM33HDAC6NPC1
SCHEMBL5072839 0.80 S1PR4 (0.45) S1PR4TRIM24TRIM33NPC1HTT
SCHEMBL13419577 0.78 SLC40A1 (0.40) SLC40A1SCN9ADYRK1ARXRARXRB
SCHEMBL13419576 0.78 SLC40A1 (0.43) SLC40A1TLR7SCN9ACGASDYRK1A
SCHEMBL5582739 0.77 S1PR4 (0.46) S1PR4TRIM24TRIM33SCN9AADORA2A
SCHEMBL12368115 0.76 SLC40A1 (0.43) SLC40A1SCN9ADYRK1AADORA2AADORA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed
CN-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 CN disclosed
CN-115181092-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-10-14 CN disclosed
CN-112279837-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-08-09 CN disclosed