SCHEMBL25048022

SCHEMBL25048022

CN1CCC(C2CCC(n3cc(-c4nc(Cc5ccccc5)cs4)c4cnc(Cl)nc43)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 19/20 0.36
▸ FLT3 P36888 19/20 0.36
▸ TYRO3 Q06418 19/20 0.36
▸ MERTK Q12866 19/20 0.36
▸ WEE1 P30291 1/20 0.36
▸ NTRK1 P04629 2/20 0.35
▸ NTRK3 Q16288 2/20 0.35
▸ SLK Q9H2G2 2/20 0.35
▸ NUAK1 O60285 1/20 0.35
▸ MET P08581 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ SIK2 Q9H0K1 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ MELK Q14680 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34
▸ TNIK Q9UKE5 1/20 0.34

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) AXLFLT3TYRO3MERTKWEE1
SCHEMBL25048916 0.91 AXL (0.36) AXLFLT3TYRO3MERTKNTRK1
SCHEMBL25047528 0.90 TYRO3 (0.37) AXLFLT3TYRO3MERTKWEE1
SCHEMBL25046690 0.89 ALK (0.34) AXLFLT3TYRO3MERTKMET
SCHEMBL25047567 0.86 C1S (0.36) AXLFLT3NTRK1NTRK3SLK
SCHEMBL25048045 0.85 AXL (0.33) AXLFLT3TYRO3MERTKNTRK1
SCHEMBL25047581 0.85 MERTK (0.32) AXLFLT3TYRO3MERTK
SCHEMBL25048898 0.84 AXL (0.33) AXLFLT3TYRO3MERTKWEE1
SCHEMBL25048947 0.83 TYRO3 (0.33) AXLFLT3TYRO3MERTKWEE1
SCHEMBL25048020 0.80 AXL (0.38) AXLFLT3TYRO3MERTKWEE1

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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