SCHEMBL25047449

SCHEMBL25047449

Cc1ccc(C2CCC(n3ccc4c(N)ncnc43)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ PRMT5 O14744 13/20 0.39
▸ WDR77 Q9BQA1 7/20 0.39
▸ ADK P55263 1/20 0.39
▸ ADORA2A P29274 1/20 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
SCHEMBL25048378 0.88 PRMT5 (0.45) RIPK2MEN1PRMT5WDR77ADK
SCHEMBL25047434 0.87 PRMT5 (0.43) MEN1PRMT5WDR77ADKADORA2A
SCHEMBL25046606 0.86 RIPK2 (0.44) RIPK2MEN1PRMT5WDR77
SCHEMBL25047638 0.85 PRMT5 (0.42) PRMT5WDR77
SCHEMBL25046760 0.81 PRMT5 (0.40) MEN1PRMT5WDR77ADK
SCHEMBL14447403 0.80 MEN1 (0.43) MEN1PRMT5WDR77ADKADORA2A
SCHEMBL25047466 0.79 PRMT5 (0.42) MEN1PRMT5WDR77
SCHEMBL25049275 0.78 PRMT5 (0.45) MEN1PRMT5WDR77ADK
SCHEMBL25047463 0.77 PRMT5 (0.40) MEN1PRMT5WDR77ADK
SCHEMBL25047848 0.75 ADK (0.50) MEN1PRMT5WDR77ADKADORA2A

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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