SCHEMBL25047764

SCHEMBL25047764

COc1cccc(C2CCC(n3cc(-c4ccn(C)n4)c4c(N)nc(Cl)nc43)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.40
▸ EGFR P00533 12/20 0.40
▸ ABL2 P42684 12/20 0.40
▸ SRC P12931 10/20 0.40
▸ PRMT5 O14744 3/20 0.40
▸ WDR77 Q9BQA1 2/20 0.40
▸ METTL3 Q86U44 4/20 0.39
▸ CHKA P35790 2/20 0.38
▸ CHKB Q9Y259 1/20 0.38
▸ LCK P06239 2/20 0.36

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
SCHEMBL25048420 0.86 METTL3 (0.38) PRMT5WDR77METTL3
SCHEMBL25047767 0.84 CHKA (0.42) ABL1EGFRABL2SRCCHKA
SCHEMBL25047714 0.83 METTL3 (0.39) ABL1EGFRSRCPRMT5WDR77
SCHEMBL25047899 0.82 PRMT5 (0.44) ABL1EGFRABL2SRCPRMT5
SCHEMBL25046779 0.82 RIPK2 (0.37) ABL1EGFRABL2SRCPRMT5
SCHEMBL25047761 0.79 PRMT5 (0.39) ABL1EGFRABL2SRCPRMT5
SCHEMBL30941299 0.79 PRMT5 (0.39) ABL1EGFRABL2SRCPRMT5
SCHEMBL31617879 0.79 PRMT5 (0.39) ABL1EGFRABL2SRCPRMT5
SCHEMBL25048354 0.77 METTL3 (0.38) PRMT5WDR77METTL3
SCHEMBL25047744 0.76 METTL3 (0.42) PRMT5WDR77METTL3

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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