SCHEMBL25048862

SCHEMBL25048862

C=C/C(=C\C)CCN(CCCN(C[C@H]1C[C@@H](n2cc(I)c3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ADK P55263 11/20 0.33
▸ HASPIN Q8TF76 1/20 0.33
▸ SRC P12931 7/20 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
SCHEMBL25047981 0.91 RET (0.32) SRC
SCHEMBL25046664 0.91 METTL3 (0.32) —
SCHEMBL25047933 0.89 METTL3 (0.37) SRC
SCHEMBL31617923 0.86 SRC (0.36) MTORRAB9AADKHASPINSRC
SCHEMBL25048851 0.81 SRC (0.32) SRC
SCHEMBL25048523 0.81 ADK (0.39) ADKSRC
SCHEMBL25046676 0.80 SRC (0.34) SRC
SCHEMBL25047532 0.80 PRMT5 (0.42) —
SCHEMBL20239104 0.80 MTOR (0.40) MTORRAB9AADKHASPINSRC
SCHEMBL31617965 0.79 METTL3 (0.35) MTORRAB9ASRC

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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