SCHEMBL25048683

SCHEMBL25048683

CC(C)(C)OC(=O)N1CCCC([C@H]2C[C@@H](n3cc(I)c4c(N)nc(Cl)nc43)[C@@H]3OC(C)(C)O[C@@H]32)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.33
▸ EGFR P00533 3/20 0.33
▸ BTK Q06187 2/20 0.33
▸ BACE1 P56817 2/20 0.32
▸ CTSD P07339 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ ABL1 P00519 2/20 0.31
▸ ABL2 P42684 2/20 0.31

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
SCHEMBL30941669 1.00 SRC (0.33) SRCEGFRBTKBACE1CTSD
SCHEMBL31618088 1.00 SRC (0.33) SRCEGFRBTKBACE1CTSD
SCHEMBL31618059 0.93 CNR1 (0.32) CNR1CNR2
SCHEMBL25048212 0.93 CNR1 (0.32) CNR1CNR2
SCHEMBL30940926 0.93 CNR1 (0.32) CNR1CNR2
SCHEMBL25048945 0.91 GPR119 (0.34) SRCEGFR
SCHEMBL30940730 0.91 GPR119 (0.34) SRCEGFR
SCHEMBL25047606 0.88 SRC (0.45) SRCEGFRABL1ABL2
SCHEMBL30941051 0.88 SRC (0.45) SRCEGFRABL1ABL2
SCHEMBL30940834 0.86 USP30 (0.32) CNR1CNR2

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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