SCHEMBL8311523

SCHEMBL8311523

O=C(Nc1cccc(-n2c(=O)c(CCBr)nc3cccnc32)c1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
PDE4D Q08499 2/20 0.43
TP53 P04637 4/20 0.42
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL6798646 0.93 PDE4B (0.44) PDE4BPDE4DTP53MAPTRXFP1
SCHEMBL6796619 0.86 PDE4B (0.40) PDE4BPDE4DTP53MAPTRXFP1
SCHEMBL6796219 0.85 EGFR (0.44) PDE4BPDE4DTP53MAPTMEN1
SCHEMBL6797424 0.84 PDE4B (0.46) PDE4BPDE4DTP53RXFP1
Hydrochloric Acid SCHEMBL6794144 0.84 EGFR (0.43) PDE4BPDE4DTP53MAPTMEN1
SCHEMBL6796610 0.84 WDR5 (0.41) PDE4BPDE4DTP53MAPTRXFP1
SCHEMBL6798698 0.83 RXFP1 (0.42) PDE4BPDE4DTP53RXFP1
SCHEMBL8311520 0.82 PDE4B (0.43) PDE4BPDE4DTP53MAPTRXFP1
SCHEMBL6799861 0.82 EGFR (0.40) PDE4BPDE4DTP53MAPTRXFP1
Sulfuric Acid SCHEMBL7827766 0.82 MEN1 (0.42) PDE4BPDE4DMAPTMEN1KMT2A

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
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed