SCHEMBL25048408

SCHEMBL25048408

CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](n2cc(-c3nccs3)c3c(N)nc(Cl)nc32)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.35
▸ ACACA Q13085 2/20 0.35
▸ IGF1R P08069 2/20 0.34
▸ SUV39H2 Q9H5I1 2/20 0.34
▸ ADK P55263 1/20 0.34
▸ PBK Q96KB5 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ SPR P35270 1/20 0.34
▸ SRC P12931 5/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ JAK2 O60674 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
SCHEMBL25047651 0.84 ACACB (0.39) ACACBACACAIGF1RSRC
SCHEMBL25047720 0.83 ACACB (0.40) ACACBACACASUV39H2PBKADORA2A
SCHEMBL25046748 0.82 METTL3 (0.41) ACACBACACASUV39H2ADORA2AADORA2B
SCHEMBL25047634 0.81 ADK (0.39) IGF1RADKFGFR1FGFR4SRC
SCHEMBL30941177 0.81 ADK (0.33) ADK
SCHEMBL25048941 0.77 SRC (0.38) FGFR1FGFR4SRC
SCHEMBL25046723 0.73 ACACB (0.42) ACACBACACASUV39H2PBKADORA2A
SCHEMBL25049143 0.73 ACACB (0.39) ACACBACACASUV39H2JAK1DRD2
SCHEMBL25049178 0.72 IGF1R (0.45) IGF1RSRC
SCHEMBL25048615 0.72 ADK (0.37) ADKFGFR1FGFR4SRC

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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