SCHEMBL25869771

SCHEMBL25869771

COC(=O)c1cnc2cc(Cl)nn2c1[C@H](C)OC

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 20/20 0.57
▸ BIRC3 Q13489 1/20 0.48
▸ HTR7 P34969 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ FLT3 P36888 1/20 0.43

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
SCHEMBL17293012 0.89 MALT1 (0.55) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL17293010 0.89 MALT1 (0.55) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL18787821 0.89 MALT1 (0.55) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL17293032 0.88 MALT1 (0.51) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL17293034 0.88 MALT1 (0.51) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL18862728 0.83 MALT1 (0.46) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL19826562 0.80 MALT1 (0.44) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL30606704 0.80 MALT1 (0.68) MALT1BIRC3
SCHEMBL30606679 0.80 MALT1 (0.68) MALT1BIRC3
SCHEMBL30595723 0.78 MALT1 (0.51) MALT1BIRC3HTR7TMEM97SIGMAR1

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-2023139479-A1 SUBSTITUTED BICYCLIC HETEROCYCLES AS MALT-1 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-07-27 — — WO disclosed
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