SCHEMBL29328808

SCHEMBL29328808

N#Cc1cc(OCC2CCOCC2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.41
CHEK1 O14757 3/20 0.41
GRM4 Q14833 3/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
SYK P43405 2/20 0.35
PRKCD Q05655 1/20 0.34
ESR1 P03372 1/20 0.34
RET P07949 1/20 0.34
TBK1 Q9UHD2 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
SCHEMBL29329117 0.90 CDK2 (0.39) PRKCQSLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL29329943 0.89 SYK (0.37) PRKCQSLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL29329640 0.87 SLC6A2 (0.39) PRKCQSLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL29329211 0.87 SYK (0.36) PRKCQSLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL29328882 0.87 SCN9A (0.36) PRKCQSLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL29329004 0.85 PRKCQ (0.38) PRKCQSYKPRKCDESR1RET
SCHEMBL29329212 0.83 LRRK2 (0.36) PRKCQSLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL29330247 0.83 NFE2L2 (0.38) PRKCQSYKPRKCDESR1RET
SCHEMBL29330430 0.79 PRKCQ (0.43) PRKCQSYK
SCHEMBL29329002 0.79 SYK (0.38) PRKCQSYKESR1RET

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-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed