SCHEMBL8311520

SCHEMBL8311520

CC(Br)c1nc2cccnc2n(-c2cccc(NC(=O)c3cc(Cl)cc(Cl)c3)c2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.43
PDE4D Q08499 3/20 0.43
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 4/20 0.41
GRM4 Q14833 1/20 0.39
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39
MAPT P10636 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
SCHEMBL6797424 0.86 PDE4B (0.46) PDE4BPDE4DRXFP1TP53EGFR
SCHEMBL6798646 0.84 PDE4B (0.44) PDE4BPDE4DRXFP1TP53GRM4
SCHEMBL8311523 0.82 PDE4B (0.43) PDE4BPDE4DRXFP1TP53GRM4
SCHEMBL6798698 0.78 RXFP1 (0.42) PDE4BPDE4DRXFP1TP53
SCHEMBL6796219 0.78 EGFR (0.44) PDE4BPDE4DTP53EGFRBTK
SCHEMBL6796619 0.77 PDE4B (0.40) PDE4BPDE4DRXFP1TP53GRM4
SCHEMBL6796610 0.77 WDR5 (0.41) PDE4BPDE4DRXFP1TP53GRM4
Hydrochloric Acid SCHEMBL6794144 0.77 EGFR (0.43) PDE4BPDE4DTP53EGFRBTK
SCHEMBL7827513 0.77 EGFR (0.43) PDE4BPDE4DRXFP1EGFRBTK
Water SCHEMBL7831408 0.76 EGFR (0.43) PDE4BPDE4DRXFP1EGFRBTK

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