SCHEMBL25870146

SCHEMBL25870146

CO[C@@H](C)c1c(C)cnc2cc(F)nn12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 17/20 0.40
▸ BIRC3 Q13489 2/20 0.40
▸ HTR7 P34969 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ FLT3 P36888 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
SCHEMBL25870148 0.82 MALT1 (0.38) MALT1BIRC3
SCHEMBL17292962 0.75 MALT1 (0.40) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL17292964 0.75 MALT1 (0.40) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL18839705 0.70 MALT1 (0.41) MALT1BIRC3
SCHEMBL18839476 0.68 MALT1 (0.65) MALT1BIRC3
SCHEMBL18839583 0.68 MALT1 (0.64) MALT1BIRC3
SCHEMBL18839867 0.68 MALT1 (0.83) MALT1BIRC3
SCHEMBL17293093 0.67 CYP1A2 (0.51) MALT1BIRC3
SCHEMBL17293094 0.67 CYP1A2 (0.51) MALT1BIRC3
SCHEMBL31259307 0.67 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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