SCHEMBL18863076

SCHEMBL18863076

CO[C@@H](C)c1c(C(=O)OC(C)(C)CCC(C)(C)C)cnc2cc(F)nn12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 17/20 0.37
▸ BIRC3 Q13489 2/20 0.37
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ IRAK4 Q9NWZ3 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
SCHEMBL18862728 0.88 MALT1 (0.46) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL17292962 0.87 MALT1 (0.40) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL17292964 0.87 MALT1 (0.40) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL17293001 0.79 MALT1 (0.41) MALT1BIRC3NPC1RAB9AHTR7
SCHEMBL19826562 0.78 MALT1 (0.44) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL17293075 0.76 MALT1 (0.49) MALT1BIRC3MEN1NPC1GAA
SCHEMBL17293077 0.76 MALT1 (0.49) MALT1BIRC3MEN1NPC1GAA
SCHEMBL17293032 0.75 MALT1 (0.51) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL17293034 0.75 MALT1 (0.51) MALT1BIRC3HTR7TMEM97SIGMAR1
SCHEMBL25870146 0.70 MALT1 (0.40) 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-2017081641-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2017-05-18 — — WO disclosed
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