SCHEMBL25048508

SCHEMBL25048508

O[C@@H]1[C@H](O)[C@@H](C2CCN(CC(F)(F)F)CC2)C[C@H]1n1cc(-c2nc(Cc3ccccc3)cs2)c2cnc(Cl)nc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ DRD2 P14416 2/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ DRD3 P35462 2/20 0.31

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
SCHEMBL30941067 1.00 AXL (0.33) AXLFLT3TYRO3MERTKDRD2
SCHEMBL25047784 0.92 AXL (0.30) AXLFLT3TYRO3MERTK
SCHEMBL25048509 0.90 PRCP (0.32) DRD2DRD4DRD3
SCHEMBL30941346 0.90 PRCP (0.32) DRD2DRD4DRD3
SCHEMBL25048901 0.90 CNR1 (0.34) AXLFLT3TYRO3MERTKDRD2
SCHEMBL25048898 0.89 AXL (0.33) AXLFLT3TYRO3MERTK
SCHEMBL25047882 0.88 AXL (0.32) AXLFLT3TYRO3MERTK
Hydrochloric Acid SCHEMBL30941119 0.86 GABRA1 (0.32) AXLFLT3TYRO3MERTK
SCHEMBL25047781 0.83 AXL (0.33) AXLFLT3TYRO3MERTKDRD2
SCHEMBL30941162 0.83 AXL (0.33) AXLFLT3TYRO3MERTKDRD2

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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