SCHEMBL10379028

SCHEMBL10379028

O=c1c2c(n(-c3ccccc3)c3nccnc13)OCC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.34
PDE4A P27815 7/20 0.34
PDE4B Q07343 6/20 0.34
PDE4C Q08493 6/20 0.34
PDE4D Q08499 6/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE10A Q9Y233 1/20 0.32
LDHA P00338 1/20 0.31
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30

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
SCHEMBL10379031 0.92 PDE4A (0.33) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL10377402 0.87 HPGD (0.33) PDE4BPDE4DALDH1A1TSHR
SCHEMBL10377468 0.87 DGAT1 (0.34) PDE4BALDH1A1TSHRCYP2C19
SCHEMBL10378431 0.87 ALDH1A1 (0.37) PDE4BPDE4DALDH1A1TSHRCYP2C19
SCHEMBL10378745 0.84 CYP1A2 (0.37) PDE4BALDH1A1TSHRCYP2C19
SCHEMBL10377154 0.84 EPHB4 (0.41) PDE4BPDE4D
SCHEMBL9352322 0.83 FEN1 (0.47) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL10739639 0.83 PDE4B (0.39) PDE4BPDE4DALDH1A1TSHR
SCHEMBL10657045 0.83 CYP1A2 (0.35) ALDH1A1TSHRCYP2C19
SCHEMBL10657628 0.82 CYP1A2 (0.35) ALDH1A1TSHRCYP2C19

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
EP-0127135-B1 FUSED TRICYCLIC DERIVATIVES OF NAPHTHYRIDINONE AND PYRIDONE AND THE CORRESPONDING THIONES SCHERING CORPORATION (US) 1990-08-29 EP disclosed
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed