SCHEMBL25048778

SCHEMBL25048778

CSn1ccc(-c2cn([C@H]3CC[C@@H](CNCCCNCCc4ccccc4)C3)c3nc(Cl)ncc23)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 8/20 0.34
▸ TYRO3 Q06418 8/20 0.34
▸ MERTK Q12866 8/20 0.34
▸ FLT3 P36888 7/20 0.34
▸ 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

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
SCHEMBL25048780 0.87 AXL (0.31) AXLTYRO3MERTKFLT3
SCHEMBL25048162 0.82 METTL3 (0.46) —
SCHEMBL25048282 0.80 AXL (0.32) AXLTYRO3MERTKFLT3
SCHEMBL25048900 0.77 NAE1 (0.31) AXLTYRO3MERTKFLT3
SCHEMBL25047679 0.75 AXL (0.35) AXLTYRO3MERTKFLT3NUAK1
SCHEMBL25048346 0.75 — —
SCHEMBL25048334 0.75 — —
SCHEMBL25048434 0.74 PRMT5 (0.34) —
SCHEMBL25047686 0.70 AXL (0.32) AXLTYRO3MERTKFLT3NUAK1
SCHEMBL25048728 0.69 PRMT5 (0.39) —

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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