SCHEMBL7722716

SCHEMBL7722716

CCCOc1ccccc1-c1nc2cnccc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 1.00
GUSB P08236 1/20 0.62
PDE10A Q9Y233 2/20 0.58
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
PDE2A O00408 1/20 0.56
PDE6D O43924 1/20 0.56
USP2 O75604 1/20 0.56
PDE9A O76083 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
PDE6A P16499 1/20 0.56
PDE6G P18545 1/20 0.56
PDE4A P27815 1/20 0.56
PDE6B P35913 1/20 0.56
PDE6C P51160 1/20 0.56

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
SCHEMBL7722832 0.91 PDE5A (1.00) PDE5AGUSBPDE10AKDM4EMEN1
SCHEMBL7164458 0.87 GUSB (0.81) PDE5AGUSBPDE10AKDM4EMEN1
SCHEMBL9635857 0.83 PDE5A (0.71) PDE5APDE10AKDM4EMEN1PDE2A
SCHEMBL7414076 0.82 PDE5A (0.69) PDE5AGUSBPDE10AKDM4EMEN1
SCHEMBL7164572 0.81 PDE5A (0.68) PDE5AGUSBPDE10AKDM4EMEN1
SCHEMBL7408452 0.80 PDE5A (0.67) PDE5AGUSBPDE10AKDM4EMEN1
SCHEMBL7404327 0.80 PDE5A (1.00) PDE5AGUSBPDE10AKDM4EMEN1
SCHEMBL7372948 0.80 PDE5A (0.70) PDE5AGUSBPDE10AKDM4EMEN1
SCHEMBL7164672 0.79 PDE5A (0.66) PDE5AGUSBPDE10AKDM4EMEN1
SCHEMBL7164509 0.79 PDE5A (0.66) PDE5AGUSBPDE10AKDM4EMEN1

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-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-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
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