SCHEMBL25048045

SCHEMBL25048045

Clc1ncc2c(-c3nc(Cc4ccccc4)cs3)cn(C3CCC(C4CCCN(CCc5ccccc5)C4)C3)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 11/20 0.33
▸ FLT3 P36888 11/20 0.33
▸ TYRO3 Q06418 11/20 0.33
▸ MERTK Q12866 11/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ MELK Q14680 1/20 0.33
▸ NTRK3 Q16288 1/20 0.33
▸ NTRK2 Q16620 1/20 0.33
▸ SLK Q9H2G2 1/20 0.33
▸ TNIK Q9UKE5 1/20 0.33
▸ XIAP P98170 1/20 0.32
▸ BIRC2 Q13490 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ HRH3 Q9Y5N1 2/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ ADRA1B P35368 1/20 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
SCHEMBL25046677 0.91 HTR2A (0.34) AXLFLT3TYRO3MERTKXIAP
SCHEMBL25048916 0.90 AXL (0.36) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL25047785 0.86 MAP4K4 (0.31) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL25048022 0.85 AXL (0.36) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL25047581 0.83 MERTK (0.32) AXLFLT3TYRO3MERTK
SCHEMBL25047528 0.83 TYRO3 (0.37) AXLFLT3TYRO3MERTKDRD2
SCHEMBL25046690 0.83 ALK (0.34) AXLFLT3TYRO3MERTK
SCHEMBL25048509 0.78 PRCP (0.32) XIAPBIRC2DRD2DRD4DRD3
SCHEMBL30941346 0.78 PRCP (0.32) XIAPBIRC2DRD2DRD4DRD3
SCHEMBL25047782 0.77 CNR1 (0.34) 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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