SCHEMBL6797485

SCHEMBL6797485

COC(=O)c1cc(C(=O)OC)cc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
PDE4B Q07343 3/20 0.43
PDE4D Q08499 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
EGFR P00533 1/20 0.43
BTK Q06187 1/20 0.43
ITK Q08881 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CASP7 P55210 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOA P21397 4/20 0.41
MMP9 P14780 3/20 0.41
MAOB P27338 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK8 P45983 2/20 0.41

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
SCHEMBL6799395 0.92 PDE4A (0.50) TP53PDE4BPDE4DPDE4APDE4C
SCHEMBL6797978 0.91 TP53 (0.41) GAATP53PDE4BPDE4DEGFR
SCHEMBL6798756 0.91 POLB (0.52) PDE4BPDE4DPDE4APDE4CEGFR
SCHEMBL6793568 0.87 PTPN11 (0.44) GAATP53EGFRBTKITK
SCHEMBL6798099 0.86 EGFR (0.44) TP53PDE4BPDE4DPDE4APDE4C
Hydrochloric Acid SCHEMBL6804303 0.85 PDE4B (0.38) GAATP53PDE4BPDE4DPDE4A
SCHEMBL6803285 0.85 TP53 (0.47) TP53PDE4BPDE4DPDE4APDE4C
SCHEMBL6796416 0.84 ALDH1A1 (0.46) TP53PDE4BPDE4DPDE4APDE4C
SCHEMBL6804890 0.83 GAA (0.42) GAATP53EGFRBTKITK
SCHEMBL6794000 0.83 RXFP1 (0.52) TP53PDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
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
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO disclosed