SCHEMBL29329943

SCHEMBL29329943

CC1CCC(COc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.37
PRKCQ Q04759 5/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 2/20 0.36
PRKCD Q05655 1/20 0.36
RET P07949 1/20 0.36
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
ESR1 P03372 2/20 0.34
P2RX3 P56373 3/20 0.34
EGFR P00533 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL29329117 0.90 CDK2 (0.39) SYKPRKCQSLC6A2SLC6A4SLC6A3
SCHEMBL29329640 0.89 SLC6A2 (0.39) SYKPRKCQSLC6A2SLC6A4SLC6A3
SCHEMBL29328882 0.89 SCN9A (0.36) SYKPRKCQSLC6A2SLC6A4SLC6A3
SCHEMBL29328808 0.89 PRKCQ (0.41) SYKPRKCQSLC6A2SLC6A4SLC6A3
SCHEMBL29329004 0.87 PRKCQ (0.38) SYKPRKCQPRKCDRETESR1
SCHEMBL29329211 0.87 SYK (0.36) SYKPRKCQSLC6A2SLC6A4SLC6A3
SCHEMBL29329212 0.83 LRRK2 (0.36) SYKPRKCQSLC6A2SLC6A4SLC6A3
SCHEMBL29330247 0.83 NFE2L2 (0.38) SYKPRKCQPRKCDRETESR1
SCHEMBL29328658 0.81 MET (0.37) SYKPRKCQPRKCDRETESR1
SCHEMBL22803670 0.78 ESR1 (0.44) SYKPRKCQRETESR1EGFR

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