SCHEMBL29612564

SCHEMBL29612564

COc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
LPL P06858 9/20 0.35
LIPG Q9Y5X9 9/20 0.35
CSF1R P07333 1/20 0.33
BACE1 P56817 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
EGFR P00533 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR2 Q92731 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL19836331 1.00 SNCA (0.41) SNCAIRAK4IDO1TDO2LPL
SCHEMBL29827536 0.83 IRAK4 (0.44) SNCAIRAK4IDO1TDO2LPL
SCHEMBL19836464 0.83 IRAK4 (0.44) SNCAIRAK4IDO1TDO2LPL
SCHEMBL23062820 0.83 SNCA (0.44) SNCAIRAK4IDO1TDO2LPL
SCHEMBL29612502 0.81 SNCA (0.41) SNCAIRAK4IDO1TDO2LPL
SCHEMBL24668140 0.81 SNCA (0.41) SNCAIRAK4IDO1TDO2LPL
SCHEMBL20987137 0.80 IRAK4 (0.39) SNCAIRAK4IDO1TDO2LPL
SCHEMBL23042579 0.80 SNCA (0.41) SNCAIRAK4IDO1TDO2LPL
SCHEMBL23042340 0.78 SNCA (0.40) SNCAIRAK4IDO1TDO2LPL
SCHEMBL20987201 0.78 LPL (0.31) SNCAIRAK4LPLLIPGEGFR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301357-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns Pharmaceuticals, Inc. (US) 2024-01-10 EP disclosed
EP-3492462-B1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2023-08-30 EP disclosed
WO-2022187403-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS TERNS PHARMACEUTICALS, INC. (US) 2022-09-09 WO disclosed
EP-4017875-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns Pharmaceuticals, Inc. (US) 2022-06-29 EP disclosed
CN-114430743-A Thyroid hormone receptor beta agonist compounds 拓臻制药公司 2022-05-03 CN disclosed