SCHEMBL25046826

SCHEMBL25046826

O[C@H]1C[C@H](n2cc(-c3nccs3)c3cnc(Cl)nc32)C[C@@H]1CNCCCNCCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 7/20 0.33
▸ FLT3 P36888 7/20 0.33
▸ TYRO3 Q06418 7/20 0.33
▸ MERTK Q12866 7/20 0.33
▸ ASAH1 Q13510 1/20 0.33
▸ NUAK1 O60285 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ MET P08581 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ NTRK3 Q16288 1/20 0.31
▸ SIK2 Q9H0K1 1/20 0.31
▸ SLK Q9H2G2 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA1 P30542 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
SCHEMBL25048900 0.80 NAE1 (0.31) AXLFLT3TYRO3MERTK
SCHEMBL25048546 0.77 PRMT5 (0.35) —
SCHEMBL25048561 0.73 PRMT5 (0.36) —
SCHEMBL30941105 0.73 PRMT5 (0.36) —
SCHEMBL25048238 0.73 AXL (0.33) AXLFLT3TYRO3MERTKNUAK1
SCHEMBL25048237 0.73 AXL (0.33) AXLFLT3TYRO3MERTKNUAK1
SCHEMBL25048282 0.73 AXL (0.32) AXLFLT3TYRO3MERTK
SCHEMBL25047879 0.73 ABL1 (0.39) FLT3TYRO3MERTKNTRK1MET
SCHEMBL25048042 0.71 CNR1 (0.33) AXLFLT3TYRO3MERTKMET
SCHEMBL25047897 0.71 CNR1 (0.33) AXLFLT3TYRO3MERTKMET

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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