SCHEMBL25046677

SCHEMBL25046677

Clc1ncc2c(-c3nc(Cc4ccccc4)cs3)cn(C3CCC(C4CCN(CCc5ccccc5)CC4)C3)c2n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.34
▸ HTR4 Q13639 3/20 0.34
▸ PRCP P42785 2/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ AXL P30530 6/20 0.32
▸ FLT3 P36888 6/20 0.32
▸ TYRO3 Q06418 6/20 0.32
▸ MERTK Q12866 6/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ WEE1 P30291 1/20 0.32
▸ XIAP P98170 1/20 0.32
▸ BIRC2 Q13490 1/20 0.32
▸ ACHE P22303 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
SCHEMBL25048022 0.91 AXL (0.36) AXLFLT3TYRO3MERTKWEE1
SCHEMBL25048045 0.91 AXL (0.33) DRD2DRD4DRD3AXLFLT3
SCHEMBL25047528 0.91 TYRO3 (0.37) DRD2DRD4SIGMAR1DRD3KCNH2
SCHEMBL25046690 0.87 ALK (0.34) AXLFLT3TYRO3MERTK
SCHEMBL25048916 0.85 AXL (0.36) AXLFLT3TYRO3MERTK
SCHEMBL25048509 0.85 PRCP (0.32) HTR2AHTR4PRCPDRD2DRD4
SCHEMBL30941346 0.85 PRCP (0.32) HTR2AHTR4PRCPDRD2DRD4
SCHEMBL25047581 0.83 MERTK (0.32) AXLFLT3TYRO3MERTK
SCHEMBL25048047 0.81 C1S (0.33) DRD2DRD4SIGMAR1DRD3KCNH2
SCHEMBL25048943 0.78 C1S (0.35) DRD2DRD4SIGMAR1DRD3KCNH2

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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