SCHEMBL25049202

SCHEMBL25049202

CC(C)(C)OC(=O)N(CCCNCC1CC[C@H](n2cc(-c3ccn(Cc4ccccc4)n3)c3c(N)nc(Cl)nc32)C1)CCc1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 3/20 0.32
▸ PRMT5 O14744 2/20 0.32
▸ WDR77 Q9BQA1 2/20 0.32
▸ IGF1R P08069 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SRC P12931 4/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 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
SCHEMBL31618030 0.89 CA2 (0.34) METTL3PRMT5WDR77
SCHEMBL25048380 0.86 ACKR3 (0.31) KDM1ASRC
SCHEMBL25048278 0.83 METTL3 (0.39) METTL3PRMT5WDR77
SCHEMBL25048782 0.83 IGF1R (0.32) METTL3PRMT5WDR77IGF1RSRC
SCHEMBL31617889 0.81 METTL3 (0.37) METTL3PRMT5WDR77
SCHEMBL25048791 0.79 IGF1R (0.33) METTL3PRMT5WDR77IGF1R
SCHEMBL25048184 0.78 KDM1A (0.31) KDM1ASRC
SCHEMBL25048309 0.78 PRMT5 (0.31) METTL3PRMT5WDR77
SCHEMBL31617928 0.76 NT5E (0.32) METTL3PRMT5WDR77
SCHEMBL31617898 0.76 CA2 (0.31) —

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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