SCHEMBL29329121

SCHEMBL29329121

C[C@H](COc1cc(C#N)nc(Nc2ccc3cc[nH]c3c2)c1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 8/20 0.40
SYK P43405 3/20 0.36
PRKCD Q05655 3/20 0.35
ESR1 P03372 2/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
NOTUM Q6P988 1/20 0.35
RET P07949 1/20 0.35
GCK P35557 1/20 0.35
TNF P01375 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MET P08581 1/20 0.33
MAPK1 P28482 1/20 0.33
LYN P07948 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
SCHEMBL29330345 0.86 PRKCQ (0.38) PRKCQSYKPRKCDESR1NOTUM
SCHEMBL29330430 0.84 PRKCQ (0.43) PRKCQSYK
SCHEMBL29329290 0.83 PRKCQ (0.42) PRKCQSYKPRKCDESR1NOTUM
SCHEMBL29329367 0.82 PRKCQ (0.40) PRKCQSYKPRKCDESR1NOTUM
SCHEMBL29330567 0.81 PRKCQ (0.45) PRKCQSYKPRKCDESR1RET
SCHEMBL29330166 0.80 PRKCQ (0.39) PRKCQSYKPRKCDNOTUMGCK
SCHEMBL29329432 0.79 PRKCQ (0.38) PRKCQSYKPRKCDESR1CTSL
SCHEMBL29329004 0.78 PRKCQ (0.38) PRKCQSYKPRKCDESR1CTSS
SCHEMBL29329943 0.77 SYK (0.37) PRKCQSYKPRKCDESR1RET
SCHEMBL29330342 0.77 SYK (0.40) PRKCQSYKPRKCDESR1RET

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