SCHEMBL29329212

SCHEMBL29329212

N#Cc1cc(OCC2CCC(F)(F)C2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.36
SYK P43405 3/20 0.35
PRKCQ Q04759 5/20 0.34
PRKCD Q05655 1/20 0.33
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 2/20 0.32
ESR1 P03372 1/20 0.32
MET P08581 1/20 0.32
RET P07949 1/20 0.32
IDH1 O75874 2/20 0.32
EGFR P00533 1/20 0.32
HTR3A P46098 1/20 0.31
KCNH2 Q12809 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
SCHEMBL29329211 0.95 SYK (0.36) LRRK2SYKPRKCQPRKCDSLC6A2
SCHEMBL29329117 0.85 CDK2 (0.39) SYKPRKCQPRKCDSLC6A2SLC6A4
SCHEMBL29328882 0.84 SCN9A (0.36) LRRK2SYKPRKCQPRKCDSLC6A2
SCHEMBL29329943 0.83 SYK (0.37) SYKPRKCQPRKCDSLC6A2SLC6A4
SCHEMBL29328808 0.83 PRKCQ (0.41) SYKPRKCQPRKCDSLC6A2SLC6A4
SCHEMBL29329640 0.82 SLC6A2 (0.39) SYKPRKCQPRKCDSLC6A2SLC6A4
SCHEMBL29329004 0.82 PRKCQ (0.38) SYKPRKCQPRKCDESR1RET
SCHEMBL29330247 0.80 NFE2L2 (0.38) SYKPRKCQPRKCDESR1RET
SCHEMBL29329365 0.79 MET (0.40) SYKPRKCQPRKCDESR1MET
SCHEMBL29330570 0.79 APP (0.36) LRRK2METIDH1

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