SCHEMBL29330345

SCHEMBL29330345

CC(COc1cc(C#N)nc(Nc2ccc3cc[nH]c3c2)c1)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.38
SYK P43405 3/20 0.34
APP P05067 1/20 0.34
MAPT P10636 1/20 0.34
PRKCD Q05655 1/20 0.34
MET P08581 1/20 0.33
NOTUM Q6P988 1/20 0.33
RET P07949 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
EGFR P00533 1/20 0.32
TTBK1 Q5TCY1 1/20 0.32
TTBK2 Q6IQ55 1/20 0.32
AURKB Q96GD4 1/20 0.32
IMPDH2 P12268 1/20 0.32
BACE1 P56817 1/20 0.32
TNF P01375 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ESR1 P03372 2/20 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
SCHEMBL29330430 0.88 PRKCQ (0.43) PRKCQSYKAPPMAPTSIRT2
SCHEMBL29329367 0.87 PRKCQ (0.40) PRKCQSYKMAPTPRKCDMET
SCHEMBL29329121 0.86 PRKCQ (0.40) PRKCQSYKPRKCDMETNOTUM
SCHEMBL29329290 0.84 PRKCQ (0.42) PRKCQSYKPRKCDMETNOTUM
SCHEMBL29330166 0.81 PRKCQ (0.39) PRKCQSYKMAPTPRKCDNOTUM
SCHEMBL29329292 0.80 SIRT2 (0.41) PRKCQSYKAPPMAPTPRKCD
SCHEMBL29329208 0.79 PRKCQ (0.39) PRKCQSYKAPPMAPTPRKCD
SCHEMBL29329528 0.79 SYK (0.36) PRKCQSYKMAPTPRKCDMET
SCHEMBL29330567 0.78 PRKCQ (0.45) PRKCQSYKPRKCDRETTTBK1
SCHEMBL29330342 0.78 SYK (0.40) PRKCQSYKAPPPRKCDMET

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