SCHEMBL25047679

SCHEMBL25047679

Cc1ccc(CCNCCCN(C)CC2CC[C@H](n3cc(-c4ccn(C)n4)c4cnc(Cl)nc43)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 10/20 0.35
▸ FLT3 P36888 10/20 0.35
▸ TYRO3 Q06418 10/20 0.35
▸ MERTK Q12866 10/20 0.35
▸ NUAK1 O60285 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ MET P08581 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ NTRK3 Q16288 1/20 0.33
▸ SIK2 Q9H0K1 1/20 0.33
▸ SLK Q9H2G2 1/20 0.33

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
SCHEMBL25048099 0.87 METTL3 (0.36) —
SCHEMBL25048302 0.79 AXL (0.33) AXLFLT3TYRO3MERTKNUAK1
SCHEMBL25048309 0.78 PRMT5 (0.31) —
SCHEMBL25048778 0.75 AXL (0.34) AXLFLT3TYRO3MERTKNUAK1
SCHEMBL25048360 0.75 RIPK2 (0.30) —
SCHEMBL25049234 0.72 — —
SCHEMBL25047883 0.71 PRMT5 (0.33) AXLFLT3TYRO3MERTK
SCHEMBL25047705 0.69 AXL (0.38) AXLFLT3TYRO3MERTK
SCHEMBL25048780 0.68 AXL (0.31) AXLFLT3TYRO3MERTK
Hydrochloric Acid SCHEMBL30940756 0.66 METTL3 (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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