SCHEMBL25048901

SCHEMBL25048901

O[C@@H]1[C@H](O)[C@@H](C2CCN(CC3CC3)CC2)C[C@H]1n1cc(-c2nc(Cc3ccccc3)cs2)c2cnc(Cl)nc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.34
▸ KCNH2 Q12809 4/20 0.34
▸ TYRO3 Q06418 4/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ MERTK Q12866 4/20 0.32
▸ AXL P30530 3/20 0.30
▸ FLT3 P36888 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
SCHEMBL25047782 0.92 CNR1 (0.34) CNR1KCNH2TYRO3DRD2DRD4
SCHEMBL25048509 0.91 PRCP (0.32) CNR1KCNH2DRD2DRD4DRD3
SCHEMBL30941346 0.91 PRCP (0.32) CNR1KCNH2DRD2DRD4DRD3
SCHEMBL25048898 0.90 AXL (0.33) TYRO3MERTKAXLFLT3
SCHEMBL30941067 0.90 AXL (0.33) TYRO3DRD2DRD4DRD3MERTK
SCHEMBL25048508 0.90 AXL (0.33) TYRO3DRD2DRD4DRD3MERTK
SCHEMBL25047882 0.90 AXL (0.32) TYRO3MERTKAXLFLT3
SCHEMBL25048511 0.89 CNR1 (0.34) CNR1KCNH2TYRO3DRD2DRD4
SCHEMBL25047787 0.88 DRD2 (0.33) CNR1KCNH2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL30941119 0.87 GABRA1 (0.32) TYRO3MERTKAXLFLT3

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
Send feedback