SCHEMBL29329871

SCHEMBL29329871

COc1cccc(COc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.39
SYK P43405 2/20 0.39
PRKCQ Q04759 8/20 0.39
MAPT P10636 3/20 0.37
APP P05067 2/20 0.37
ESR1 P03372 1/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKCD Q05655 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
EGFR P00533 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 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
SCHEMBL29328592 0.86 SYK (0.45) RETSYKPRKCQMAPTAPP
SCHEMBL29330024 0.85 MAOB (0.37) SYKPRKCQESR1PRKCDSIRT2
SCHEMBL29330430 0.82 PRKCQ (0.43) SYKPRKCQMAPTAPPMEN1
SCHEMBL29329292 0.82 SIRT2 (0.41) SYKPRKCQMAPTAPPMAPK1
SCHEMBL29328886 0.81 PRKCQ (0.45) SYKPRKCQ
SCHEMBL29330342 0.79 SYK (0.40) RETSYKPRKCQAPPESR1
SCHEMBL29329434 0.79 MAPT (0.43) SYKPRKCQMAPTMEN1POLB
SCHEMBL29329215 0.79 SYK (0.40) RETSYKPRKCQMAPTAPP
SCHEMBL29329290 0.78 PRKCQ (0.42) RETSYKPRKCQESR1PRKCD
SCHEMBL29329004 0.76 PRKCQ (0.38) RETSYKPRKCQESR1PRKCD

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