SCHEMBL17758889

SCHEMBL17758889

CN(O)C(=O)c1cccc(-n2ccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.55
▸ PDE4B Q07343 1/20 0.55
▸ PDE4C Q08493 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ IDO1 P14902 1/20 0.54
▸ ABL1 P00519 1/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ BAZ2B Q9UIF8 1/20 0.49
▸ MGLL Q99685 1/20 0.48
▸ GFER P55789 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ADH5 P11766 2/20 0.44
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ AHR P35869 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
SCHEMBL21695614 0.85 IDO1 (0.50) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL7280094 0.82 CYP3A4 (0.67) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL29488338 0.81 IDO1 (0.61) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL3118463 0.81 IDO1 (0.61) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL939912 0.81 IDO1 (0.61) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL17773158 0.79 IDO1 (0.55) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL10851507 0.79 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL5868840 0.79 HTT (0.69) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL13320411 0.79 IDO1 (0.55) PDE4APDE4BPDE4CPDE4DIDO1
Hydrochloric Acid SCHEMBL5869171 0.78 IDO1 (0.62) PDE4APDE4BPDE4CPDE4DIDO1

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
EP-3218373-B1 ANTI-HCMV COMPOSITIONS AND METHODS EVRYS BIO LLC (US) 2020-07-22 — — EP disclosed
WO-2016077232-A2 ANTI-HCMV COMPOSITIONS AND METHODS FORGE LIFE SCIENCE, LLC (US) 2016-05-19 — — WO disclosed
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