SCHEMBL25049274

SCHEMBL25049274

NCc1cccc(C2CCC(n3ccc4c(N)nc(Cl)nc43)C2)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 3/20 0.35
▸ NT5E P21589 2/20 0.35
▸ TPSAB1 Q15661 1/20 0.32
▸ PRMT5 O14744 5/20 0.32
▸ WDR77 Q9BQA1 2/20 0.32
▸ CHKB Q9Y259 1/20 0.32
▸ PDE8A O60658 1/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.31
▸ OPRM1 P35372 2/20 0.30
▸ OPRD1 P41143 2/20 0.30

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
SCHEMBL25048385 0.88 ROCK2 (0.39) CHKANT5EPDE8AHRH3
SCHEMBL25049275 0.84 PRMT5 (0.45) PRMT5WDR77
SCHEMBL25047863 0.82 METTL3 (0.34) CHKATPSAB1PDE8A
SCHEMBL25048806 0.81 CHKA (0.35) CHKANT5ECHKB
SCHEMBL31617909 0.81 CHKA (0.35) CHKANT5ECHKB
SCHEMBL25049069 0.81 CHKA (0.33) CHKACHKB
SCHEMBL25046778 0.81 CHKA (0.37) CHKANT5ECHKBOPRM1OPRD1
SCHEMBL25048345 0.79 CHKA (0.35) CHKANT5ECHKB
SCHEMBL25048835 0.78 PRMT5 (0.41) NT5EPRMT5WDR77
SCHEMBL25048458 0.78 CHKA (0.34) CHKANT5EPRMT5CHKB

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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