SCHEMBL25049332

SCHEMBL25049332

Nc1ncnc2c1c(-c1nccs1)cn2[C@@H]1C[C@H](CNCCCNCCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.47
▸ CA2 P00918 1/20 0.45
▸ METTL3 Q86U44 10/20 0.41
▸ ABL1 P00519 2/20 0.39
▸ EGFR P00533 2/20 0.39
▸ ABL2 P42684 2/20 0.39
▸ PRMT5 O14744 6/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ SRC P12931 2/20 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
SCHEMBL30940961 1.00 ADK (0.47) ADKCA2METTL3ABL1EGFR
SCHEMBL25047836 0.93 ADK (0.46) ADKCA2METTL3PRMT5
SCHEMBL30941403 0.93 ADK (0.46) ADKCA2METTL3PRMT5
SCHEMBL30941278 0.89 CA2 (0.45) CA2METTL3ABL1EGFRABL2
SCHEMBL25047827 0.89 CA2 (0.45) CA2METTL3ABL1EGFRABL2
SCHEMBL25048825 0.88 CA2 (0.52) ADKCA2METTL3ABL1EGFR
SCHEMBL30941348 0.88 CA2 (0.52) ADKCA2METTL3ABL1EGFR
SCHEMBL25048519 0.88 CA2 (0.44) CA2METTL3PRMT5WDR77SRC
SCHEMBL30941450 0.88 CA2 (0.44) CA2METTL3PRMT5WDR77SRC
SCHEMBL25046809 0.87 CA2 (0.49) ADKCA2METTL3ABL1EGFR

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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