SCHEMBL25048798

SCHEMBL25048798

CC(C)(C)OC(=O)N(CCCN(C[C@H]1C[C@@H](n2cc(-c3ccncc3)c3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12)C(=O)OC(C)(C)C)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 19/20 0.43
▸ EGFR P00533 1/20 0.41
▸ CA2 P00918 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
SCHEMBL25048829 0.89 METTL3 (0.37) SRCEGFR
SCHEMBL31617923 0.89 SRC (0.36) SRCEGFRCA2
SCHEMBL31617904 0.89 SRC (0.38) SRCEGFRCA2
SCHEMBL31617891 0.89 SRC (0.37) SRCEGFRCA2
SCHEMBL25048894 0.88 METTL3 (0.39) SRCEGFRCA2
SCHEMBL31617982 0.87 SRC (0.36) SRCEGFRCA2
SCHEMBL31618034 0.87 METTL3 (0.39) SRCEGFRCA2
SCHEMBL31617853 0.87 SRC (0.35) SRCEGFRCA2
SCHEMBL31617787 0.86 METTL3 (0.38) SRCEGFRCA2
SCHEMBL31617986 0.84 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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