SCHEMBL31728560

SCHEMBL31728560

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c(Br)cc(N3CC4CC4C3)nc12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.35
▸ MAP4K4 O95819 4/20 0.33
▸ PDE10A Q9Y233 3/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ PDPK1 O15530 1/20 0.31
▸ CHRM4 P08173 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
SCHEMBL31728073 0.80 GPR119 (0.33) JAK1MAP4K4PDE10AGPR119PDPK1
SCHEMBL31728059 0.77 PDPK1 (0.37) MKNK2PDPK1
SCHEMBL15274774 0.66 GPR119 (0.38) PDE10AGPR119
SCHEMBL19890726 0.63 PDPK1 (0.35) MKNK2PDPK1
SCHEMBL30167345 0.63 PDPK1 (0.35) MKNK2PDPK1
SCHEMBL20692747 0.63 SRC (0.39) PDPK1
SCHEMBL30813372 0.62 LCK (0.35) MKNK2PDPK1
SCHEMBL27455924 0.62 LMNA (0.31) —
SCHEMBL21925311 0.62 PDPK1 (0.43) MAP4K4MKNK2PDPK1
SCHEMBL29921617 0.62 PDPK1 (0.35) MKNK2PDPK1

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-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 — — WO disclosed
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