SCHEMBL25047789

SCHEMBL25047789

Cn1cc(-c2cn([C@@H]3C[C@H](CNCCCNCCc4ccccc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)cn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 10/20 0.58
▸ CA2 P00918 1/20 0.55
▸ PRMT5 O14744 3/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ ABL1 P00519 3/20 0.43
▸ EGFR P00533 3/20 0.43
▸ ABL2 P42684 3/20 0.43
▸ SRC P12931 5/20 0.42
▸ ADK P55263 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ TEK Q02763 1/20 0.40

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
SCHEMBL30940795 1.00 METTL3 (0.58) METTL3CA2PRMT5WDR77ABL1
SCHEMBL25048825 0.92 CA2 (0.52) METTL3CA2ABL1EGFRABL2
SCHEMBL30941348 0.92 CA2 (0.52) METTL3CA2ABL1EGFRABL2
SCHEMBL30941007 0.89 CA2 (0.49) METTL3CA2PRMT5ABL1EGFR
SCHEMBL25046809 0.89 CA2 (0.49) METTL3CA2PRMT5ABL1EGFR
SCHEMBL25049330 0.88 METTL3 (0.57) METTL3PRMT5WDR77
SCHEMBL30941170 0.88 METTL3 (0.57) METTL3PRMT5WDR77
SCHEMBL25048884 0.88 METTL3 (0.58) METTL3CA2PRMT5WDR77ABL1
SCHEMBL25048714 0.87 ABL1 (0.49) METTL3CA2ABL1EGFRABL2
SCHEMBL31618011 0.87 ABL1 (0.49) METTL3CA2ABL1EGFRABL2

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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