SCHEMBL21810902

SCHEMBL21810902

N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cc3n(n1)CCC(CO)O3)CO2.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.41
PDE4B Q07343 3/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PRKAA2 P54646 11/20 0.38
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
HTR2A P28223 2/20 0.38
PRKAB2 O43741 5/20 0.34
PRKAG1 P54619 5/20 0.34
PRKAA1 Q13131 5/20 0.34
PRKAG3 Q9UGI9 5/20 0.34
PRKAG2 Q9UGJ0 5/20 0.34
PRKAB1 Q9Y478 5/20 0.34
FASN P49327 1/20 0.34

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
SCHEMBL23645358 0.99 MALT1 (0.42) MALT1PDE4BPDE4APDE4CPRKAA2
SCHEMBL23645363 0.99 MALT1 (0.42) MALT1PDE4BPDE4APDE4CPRKAA2
SCHEMBL23645331 0.89 PDE4B (0.41) MALT1PDE4BPDE4APDE4CPRKAA2
SCHEMBL23645335 0.89 PDE4B (0.41) MALT1PDE4BPDE4APDE4CPRKAA2
SCHEMBL23645359 0.88 MALT1 (0.41) MALT1PDE4BPDE4APDE4CPRKAA2
SCHEMBL23645355 0.88 MALT1 (0.41) MALT1PDE4BPDE4APDE4CPRKAA2
SCHEMBL23645326 0.88 MALT1 (0.42) MALT1PDE4BPDE4APDE4CPRKAA2
SCHEMBL23645327 0.88 MALT1 (0.42) MALT1PDE4BPDE4APDE4CPRKAA2
SCHEMBL23645317 0.87 MALT1 (0.40) MALT1PDE4BPDE4APDE4CPRKAA2
SCHEMBL23645316 0.87 MALT1 (0.40) MALT1PDE4BPDE4APDE4CPRKAA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020054670-A1 NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME 科研製薬株式会社 2020-03-19 WO disclosed
WO-2020054657-A1 NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME 科研製薬株式会社 2020-03-19 WO disclosed