SCHEMBL25048857

SCHEMBL25048857

C/C=C(\C)CCN(CCCN(CC1CCC(n2cc(C(C)CC)c3c(N)ncnc32)C1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 19/20 0.36
▸ EGFR P00533 1/20 0.36
▸ NEK7 Q8TDX7 1/20 0.34

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
SCHEMBL25047974 0.89 SRC (0.37) SRCEGFR
SCHEMBL25048534 0.88 SRC (0.37) SRCEGFR
SCHEMBL25046665 0.88 SRC (0.37) SRCEGFR
SCHEMBL25047949 0.85 SRC (0.38) SRCEGFR
SCHEMBL25047641 0.84 SRC (0.34) SRCEGFR
SCHEMBL25047533 0.83 PRMT5 (0.44) —
SCHEMBL25048524 0.83 ADK (0.40) SRCEGFR
SCHEMBL25046675 0.83 SRC (0.39) SRCEGFR
SCHEMBL25048851 0.83 SRC (0.32) SRC
SCHEMBL25048869 0.82 SRC (0.36) SRCEGFR

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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