SCHEMBL25319331

SCHEMBL25319331

C[C@H]1CC=C(c2ccc3nn([C@@H]4CCN(C)C4)cc3c2)N(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.39
▸ KDM5A P29375 2/20 0.36
▸ IRAK4 Q9NWZ3 5/20 0.33
▸ MELK Q14680 3/20 0.33
▸ CHEK2 O96017 1/20 0.32
▸ GSK3B P49841 2/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ WNT1 P04628 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ CLK2 P49760 1/20 0.30
▸ CLK3 P49761 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PRKAA2 P54646 1/20 0.30
▸ MLLT1 Q03111 1/20 0.30

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
SCHEMBL25912068 0.88 TLR8 (0.38) TLR8KDM5AIRAK4MELKCHEK2
SCHEMBL29081534 0.88 TLR8 (0.38) TLR8KDM5AIRAK4MELKCHEK2
SCHEMBL25912011 0.88 TLR8 (0.38) TLR8KDM5AIRAK4MELKCHEK2
SCHEMBL29081533 0.88 TLR8 (0.38) TLR8KDM5AIRAK4MELKCHEK2
SCHEMBL25323890 0.88 IRAK4 (0.37) TLR8KDM5AIRAK4GSK3BDYRK1A
SCHEMBL25322655 0.84 TLR8 (0.37) TLR8
SCHEMBL29081922 0.83 TLR8 (0.37) TLR8KDM5AIRAK4MELKCHEK2
SCHEMBL29081246 0.83 TLR8 (0.37) TLR8KDM5AIRAK4MELKCHEK2
SCHEMBL29081248 0.83 TLR8 (0.37) TLR8KDM5AIRAK4MELKCHEK2
SCHEMBL25911939 0.83 TLR8 (0.40) TLR8KDM5AIRAK4CHEK2GSK3B

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-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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