SCHEMBL7718072

SCHEMBL7718072

CCCOc1ccccc1-c1nc2nnc(SC)nc2c(=O)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.65
PDE4A P27815 2/20 0.65
PDE4B Q07343 2/20 0.65
PDE4C Q08493 2/20 0.65
PDE4D Q08499 2/20 0.65
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
PDE2A O00408 1/20 0.65
PDE6D O43924 1/20 0.65
USP2 O75604 1/20 0.65
PDE9A O76083 1/20 0.65
LMNA P02545 1/20 0.65
CYP1A2 P05177 1/20 0.65
MAPT P10636 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
PDE6A P16499 1/20 0.65
PDE6G P18545 1/20 0.65

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
SCHEMBL7721820 0.92 PDE5A (0.65) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7721771 0.85 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7722463 0.85 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7722858 0.83 PDE5A (0.65) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL147134 0.81 PDE5A (0.69) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7375297 0.80 PDE5A (0.73) PDE5APDE4APDE4BPDE4CPDE4D
Zaprinast SCHEMBL30713719 0.79 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7721526 0.78 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7723452 0.78 PDE5A (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7721531 0.77 PDE5A (0.69) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347146-B1 FUSED PYRIMIDINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-01 EP claimed
EP-0347146-A2 Fused pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 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-0573635-A1 COMPOSITION AND USE OF SUBSTITUTED 1,3-DITHIOLO- AND 1,4-DITHIINOQUINOXALINES AS AN ANTIMICROBIAL THE DOW CHEMICAL COMPANY (US) 1993-12-15 EP disclosed
EP-0347146-B1 FUSED PYRIMIDINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-01 EP disclosed
WO-1993013106-A1 COMPOSITION AND USE OF SUBSTITUTED 1,3-DITHIOLO- AND 1,4-DITHIINOQUINOXALINES AS AN ANTIMICROBIAL THE DOW CHEMICAL COMPANY (US) 1993-07-08 WO disclosed
US-5047404-A Fused pyrimidine derivatives bronchodilator agents, antiallergens SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-09-10 US disclosed
EP-0347146-A2 Fused pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 EP disclosed