SCHEMBL25047784

SCHEMBL25047784

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

nearest known ligand 0.30

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 2/20 0.30
▸ FLT3 P36888 2/20 0.30
▸ TYRO3 Q06418 2/20 0.30
▸ MERTK Q12866 2/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ NTRK1 P04629 1/20 0.30
▸ MELK Q14680 1/20 0.30
▸ NTRK3 Q16288 1/20 0.30
▸ NTRK2 Q16620 1/20 0.30
▸ SLK Q9H2G2 1/20 0.30
▸ TNIK Q9UKE5 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
SCHEMBL25048508 0.92 AXL (0.33) AXLFLT3TYRO3MERTK
SCHEMBL30941067 0.92 AXL (0.33) AXLFLT3TYRO3MERTK
SCHEMBL25047782 0.90 CNR1 (0.34) AXLFLT3TYRO3MERTK
SCHEMBL25047785 0.90 MAP4K4 (0.31) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL30941162 0.88 AXL (0.33) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL25047781 0.88 AXL (0.33) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL25048898 0.84 AXL (0.33) AXLFLT3TYRO3MERTKMAP4K4
SCHEMBL25047580 0.83 MERTK (0.32) MERTK
SCHEMBL25048509 0.83 PRCP (0.32) —
SCHEMBL25048901 0.83 CNR1 (0.34) AXLFLT3TYRO3MERTK

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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