SCHEMBL29329641

SCHEMBL29329641

C[C@@H](c1cccc(Oc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)c1)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.35
PRKCQ Q04759 7/20 0.35
ACHE P22303 3/20 0.33
BCHE P06276 2/20 0.33
MET P08581 1/20 0.33
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ESR1 P03372 2/20 0.32
RET P07949 1/20 0.32
ALOX5 P09917 1/20 0.31
PRKCD Q05655 1/20 0.31
BTK Q06187 1/20 0.31
FAAH O00519 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
ERBB3 P21860 1/20 0.31
ERBB4 Q15303 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
SCHEMBL29329432 0.89 PRKCQ (0.38) SYKPRKCQMETCTSLCTSS
SCHEMBL29328747 0.83 EGFR (0.42) SYKPRKCQMETESR1EGFR
SCHEMBL29330567 0.83 PRKCQ (0.45) SYKPRKCQESR1RETPRKCD
SCHEMBL29330425 0.80 ESR1 (0.42) SYKPRKCQMETESR1RET
SCHEMBL29329720 0.80 TTBK1 (0.46) PRKCQCTSSESR1EGFRERBB2
SCHEMBL29330092 0.80 ABL1 (0.41) SYKPRKCQMETCTSLCTSS
SCHEMBL29330341 0.80 PRKCQ (0.39) SYKPRKCQMETESR1RET
SCHEMBL29330161 0.79 ESR1 (0.48) SYKPRKCQESR1PRKCDEGFR
SCHEMBL29330254 0.78 SYK (0.42) SYKPRKCQMETESR1RET
SCHEMBL29330255 0.78 ESR1 (0.42) SYKPRKCQMETESR1RET

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