SCHEMBL25047782

SCHEMBL25047782

O[C@@H]1[C@H](O)[C@@H](C2CCCN(CC3CC3)C2)C[C@H]1n1cc(-c2nc(Cc3ccccc3)cs2)c2cnc(Cl)nc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.34
▸ KCNH2 Q12809 5/20 0.34
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ TYRO3 Q06418 2/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ MERTK Q12866 2/20 0.30
▸ AXL P30530 1/20 0.30
▸ FLT3 P36888 1/20 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
SCHEMBL25047785 0.92 MAP4K4 (0.31) DRD2DRD4DRD3TYRO3MERTK
SCHEMBL25048901 0.92 CNR1 (0.34) CNR1KCNH2DRD2DRD4DRD3
SCHEMBL25047781 0.91 AXL (0.33) DRD2DRD4DRD3TYRO3MERTK
SCHEMBL30941162 0.91 AXL (0.33) DRD2DRD4DRD3TYRO3MERTK
SCHEMBL25047784 0.90 AXL (0.30) TYRO3MERTKAXLFLT3
SCHEMBL25048511 0.88 CNR1 (0.34) CNR1KCNH2DRD2DRD4DRD3
SCHEMBL25048898 0.85 AXL (0.33) TYRO3MERTKAXLFLT3
SCHEMBL25048509 0.84 PRCP (0.32) CNR1KCNH2DRD2DRD4DRD3
SCHEMBL30941346 0.84 PRCP (0.32) CNR1KCNH2DRD2DRD4DRD3
SCHEMBL25047580 0.84 MERTK (0.32) MERTK

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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