SCHEMBL29330341

SCHEMBL29330341

Cc1cccc(C)c1Oc1cc(C#N)nc(Nc2ccc3cc[nH]c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.39
NOTUM Q6P988 1/20 0.37
SYK P43405 3/20 0.37
MET P08581 1/20 0.36
ESR1 P03372 2/20 0.36
AR P10275 1/20 0.35
RET P07949 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRKCD Q05655 1/20 0.34
SLC2A1 P11166 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL29329722 0.88 SYK (0.41) PRKCQSYKMETESR1RET
SCHEMBL29330425 0.86 ESR1 (0.42) PRKCQSYKMETESR1RET
SCHEMBL29329536 0.85 SYK (0.40) PRKCQSYKMETESR1RET
SCHEMBL29330567 0.85 PRKCQ (0.45) PRKCQSYKESR1RETMEN1
SCHEMBL29330256 0.84 PRKCQ (0.41) PRKCQNOTUMSYKMETESR1
SCHEMBL29329126 0.84 SYK (0.40) PRKCQNOTUMSYKMETESR1
SCHEMBL29328747 0.84 EGFR (0.42) PRKCQSYKMETESR1SLC2A1
SCHEMBL29329781 0.84 SYK (0.41) PRKCQSYKMETESR1RET
SCHEMBL29330161 0.83 ESR1 (0.48) PRKCQSYKESR1MEN1POLB
SCHEMBL29329863 0.83 SYK (0.40) PRKCQSYKMETESR1RET

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