SCHEMBL25048947

SCHEMBL25048947

CN1CCC=C(C2CCC(n3cc(-c4nc(Cc5ccccc5)cs4)c4cnc(Cl)nc43)C2)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYRO3 Q06418 16/20 0.33
▸ MERTK Q12866 16/20 0.33
▸ AXL P30530 15/20 0.33
▸ FLT3 P36888 15/20 0.33
▸ NTRK1 P04629 2/20 0.32
▸ NTRK3 Q16288 2/20 0.32
▸ SLK Q9H2G2 2/20 0.32
▸ NUAK1 O60285 1/20 0.32
▸ MET P08581 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ SIK2 Q9H0K1 1/20 0.32
▸ MAP4K4 O95819 1/20 0.31
▸ MELK Q14680 1/20 0.31
▸ NTRK2 Q16620 1/20 0.31
▸ TNIK Q9UKE5 1/20 0.31
▸ WEE1 P30291 1/20 0.31
▸ C1S P09871 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
SCHEMBL25048062 0.92 AXL (0.31) TYRO3MERTKAXLFLT3
SCHEMBL25048097 0.86 AXL (0.32) TYRO3MERTKAXLFLT3
SCHEMBL25048502 0.84 — —
SCHEMBL30941879 0.84 — —
SCHEMBL25048022 0.83 AXL (0.36) TYRO3MERTKAXLFLT3NTRK1
SCHEMBL25048300 0.82 AXL (0.31) TYRO3MERTKAXLFLT3
SCHEMBL25048916 0.80 AXL (0.36) TYRO3MERTKAXLFLT3NTRK1
SCHEMBL25048060 0.78 — —
SCHEMBL30941847 0.78 — —
SCHEMBL30940858 0.78 — —

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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