SCHEMBL30918924

SCHEMBL30918924

COc1cc2ccn(C(=O)OC(C)(C)C)c2cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.45
PIK3CD O00329 3/20 0.45
ABL1 P00519 2/20 0.45
EGFR P00533 2/20 0.45
HCK P08631 2/20 0.45
SRC P12931 2/20 0.45
KDR P35968 2/20 0.45
PIK3CB P42338 2/20 0.45
MTOR P42345 2/20 0.45
PIK3CG P48736 2/20 0.45
EPHB4 P54760 2/20 0.45
PRKDC P78527 2/20 0.45
PI4KB Q9UBF8 2/20 0.45
MAPT P10636 1/20 0.42
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL17583735 1.00 PIK3CA (0.45) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL15091426 0.85 PIK3CA (0.46) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL17847214 0.84 PIK3CA (0.47) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL30670478 0.84 PIK3CA (0.47) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL17336535 0.83 PIK3CA (0.48) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL1396849 0.83 PIK3CD (0.48) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL17847098 0.82 GABRG2 (0.46) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL15091891 0.82 PIK3CA (0.45) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL17859395 0.82 PIK3CB (0.45) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL26498723 0.82 PIK3CA (0.45) PIK3CAPIK3CDABL1EGFRHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4611743-A1 TRIAZINES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 Merck Sharp & Dohme LLC (US) 2025-09-10 EP disclosed
WO-2024097598-A1 TRIAZINES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-05-10 WO disclosed