SCHEMBL25046675

SCHEMBL25046675

C/C=C(\C)CCN(CCCN(CC1CCC(n2cc(-c3ccncn3)c3c(N)ncnc32)C1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 18/20 0.39
▸ EGFR P00533 4/20 0.39
▸ ABL1 P00519 3/20 0.37
▸ ABL2 P42684 3/20 0.37
▸ RET P07949 1/20 0.37

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
SCHEMBL25047533 0.90 PRMT5 (0.44) —
SCHEMBL25047974 0.87 SRC (0.37) SRCEGFRABL1ABL2
SCHEMBL25048524 0.87 ADK (0.40) SRCEGFRABL1ABL2
SCHEMBL25048534 0.86 SRC (0.37) SRCEGFRABL1ABL2RET
SCHEMBL25046665 0.86 SRC (0.37) SRCEGFRABL1ABL2RET
SCHEMBL25046650 0.85 SRC (0.37) SRCEGFRABL1ABL2
SCHEMBL25048503 0.84 SRC (0.38) SRCEGFRABL1ABL2
SCHEMBL25047522 0.84 SRC (0.38) SRCEGFRABL1ABL2
SCHEMBL25047997 0.84 SRC (0.39) SRCEGFRABL1ABL2RET
SCHEMBL25048857 0.83 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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