SCHEMBL29328592

SCHEMBL29328592

COc1nccc(COc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.45
PRKCQ Q04759 7/20 0.39
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
RET P07949 1/20 0.38
ESR1 P03372 2/20 0.36
MAPT P10636 3/20 0.35
APP P05067 2/20 0.35
PRKCD Q05655 2/20 0.34
EGFR P00533 1/20 0.33
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
NOTUM Q6P988 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL29329871 0.86 RET (0.39) SYKPRKCQMAPK1MEN1POLB
SCHEMBL29330430 0.80 PRKCQ (0.43) SYKPRKCQMEN1KMT2AMAPT
SCHEMBL29330024 0.80 MAOB (0.37) SYKPRKCQESR1PRKCD
SCHEMBL29330342 0.79 SYK (0.40) SYKPRKCQRETESR1APP
SCHEMBL29329215 0.79 SYK (0.40) SYKPRKCQMAPK1MEN1POLB
SCHEMBL29329292 0.78 SIRT2 (0.41) SYKPRKCQMAPK1MAPTAPP
SCHEMBL29329435 0.78 PRKCQ (0.36) SYKPRKCQRETESR1PRKCD
SCHEMBL29328745 0.78 PRKCQ (0.37) SYKPRKCQRETESR1APP
SCHEMBL29330433 0.77 SYK (0.41) SYKPRKCQRETESR1PRKCD
SCHEMBL29329004 0.76 PRKCQ (0.38) SYKPRKCQRETESR1PRKCD

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