SCHEMBL25049071

SCHEMBL25049071

C/C=C(\C)CCNCCCNC[C@H]1C[C@@H](n2cc(-c3nc(Cc4ccccc4)cs3)c3c(N)ncnc32)[C@H](O)[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.38
▸ METTL3 Q86U44 8/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ ABL1 P00519 3/20 0.34
▸ EGFR P00533 3/20 0.34
▸ ABL2 P42684 3/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ ADK P55263 1/20 0.34
▸ SRC P12931 4/20 0.34
▸ LCK P06239 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ TEK Q02763 1/20 0.34

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
SCHEMBL25048257 0.89 LCK (0.39) CA2ABL1EGFRABL2IGF1R
SCHEMBL25049073 0.85 ABL1 (0.41) ABL1EGFRABL2IGF1RSRC
SCHEMBL25048571 0.85 ADK (0.46) CA2METTL3PRMT5ABL1EGFR
SCHEMBL30941450 0.85 CA2 (0.44) CA2METTL3PRMT5SRC
SCHEMBL25048519 0.85 CA2 (0.44) CA2METTL3PRMT5SRC
SCHEMBL25046701 0.84 METTL3 (0.34) CA2METTL3PRMT5ABL1EGFR
SCHEMBL25047939 0.81 METTL3 (0.45) CA2METTL3PRMT5ABL1EGFR
SCHEMBL25048552 0.81 METTL3 (0.37) CA2METTL3PRMT5ABL1EGFR
SCHEMBL25048192 0.79 METTL3 (0.40) CA2METTL3PRMT5
SCHEMBL25048805 0.75 CA2 (0.35) CA2METTL3PRMT5

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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