SCHEMBL25048385

SCHEMBL25048385

Nc1nc(Cl)nc2c1ccn2C1CCC(c2cccc(CN3CCC3)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.39
▸ DRD2 P14416 3/20 0.35
▸ TRPV6 Q9H1D0 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CHKA P35790 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PDE8A O60658 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL25049274 0.88 CHKA (0.35) HRH3CHKANT5EPDE8A
SCHEMBL25047689 0.83 METTL3 (0.41) ROCK2DRD2TRPV6F2F10
SCHEMBL25047902 0.80 METTL3 (0.46) NT5E
SCHEMBL25047714 0.80 METTL3 (0.39) ROCK2TRPV6
SCHEMBL25047706 0.78 IGF1R (0.33) ROCK2DRD2TRPV6DRD4DRD3
SCHEMBL25048806 0.77 CHKA (0.35) CHKANT5E
SCHEMBL25046778 0.77 CHKA (0.37) CHKANT5E
SCHEMBL31617909 0.77 CHKA (0.35) CHKANT5E
SCHEMBL25049069 0.77 CHKA (0.33) CHKA
SCHEMBL25048345 0.75 CHKA (0.35) CHKANT5E

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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