SCHEMBL7722663

SCHEMBL7722663

CCCOc1ccccc1-c1nc2nc(NN)ncc2c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.67
PDE4A P27815 2/20 0.58
PDE4B Q07343 2/20 0.58
PDE4C Q08493 2/20 0.58
PDE4D Q08499 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
PDE2A O00408 1/20 0.58
PDE6D O43924 1/20 0.58
USP2 O75604 1/20 0.58
PDE9A O76083 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
PDE6A P16499 1/20 0.58
PDE6G P18545 1/20 0.58
PDE6B P35913 1/20 0.58

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
SCHEMBL7721797 0.91 PDE5A (0.69) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7723340 0.90 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7367432 0.89 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7718299 0.89 PDE5A (0.66) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9533622 0.88 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7722516 0.87 PDE5A (0.62) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7723475 0.86 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7367729 0.86 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7723505 0.86 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7718066 0.86 PDE5A (0.71) PDE5APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351058-B1 PYRIMIDOPYRIMIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-06-02 EP claimed
EP-0351058-A1 Pyrimidopyrimidine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-17 EP claimed
US-6391885-B1 CONTROLLING APOPTOSIS IN AUTOIMMUNE DISEASE CELL PATHWAYS, INC. 2002-05-21 US disclosed
US-6060477-A Method of treating a patient having precancerous lesions with phenyl cycloamino pyrimidinone derivatives CELL PATHWAYS, INC. (US) 2000-05-09 US disclosed
EP-0351058-B1 PYRIMIDOPYRIMIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-06-02 EP disclosed
US-5162316-A Pyrimido[4,5-d]pyrimidine derivatives for use as bronchodilators SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-11-10 US disclosed
EP-0351058-A1 Pyrimidopyrimidine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-17 EP disclosed