SCHEMBL30961874

SCHEMBL30961874

CC(C)(C)OC(=O)N1CCC=C(c2ccc3c(c2)c2ncnc(O)c2n3CC(F)(F)F)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.34
▸ ESR2 Q92731 1/20 0.32
▸ PIK3CA P42336 5/20 0.32
▸ PIK3CD O00329 4/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ KIT P10721 2/20 0.32
▸ MTOR P42345 3/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ GPR119 Q8TDV5 2/20 0.31
▸ SOS1 Q07889 1/20 0.31
▸ GRIA1 P42261 1/20 0.31
▸ MAP4K4 O95819 1/20 0.30

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
SCHEMBL30961867 0.78 PDE4B (0.42) PIK3CD
SCHEMBL30961743 0.76 NR1H2 (0.44) ESR2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30961796 0.75 QDPR (0.43) PLK1
SCHEMBL24688876 0.70 KRAS (0.35) —
SCHEMBL30961798 0.70 RORA (0.34) —
SCHEMBL30961847 0.70 HPGD (0.38) —
SCHEMBL21311005 0.69 NR1H2 (0.38) DGAT2ESR2PIK3CACNR2GPR119
SCHEMBL29197658 0.69 ESR2 (0.55) DGAT2ESR2PIK3CDGPR119GRIA1
SCHEMBL21425206 0.68 MAPT (0.50) ESR2GPR119
SCHEMBL31749917 0.68 CDK9 (0.39) ESR2PIK3CDGPR119

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-4633739-A1 COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS Flare Therapeutics, Inc. (US) 2025-10-22 — — EP disclosed
WO-2024129715-A1 COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS FLARE THERAPEUTICS INC. (US) 2024-06-20 — — WO disclosed
Send feedback