SCHEMBL2803725

SCHEMBL2803725

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC(CCN(CC)CC)COC(C)=O)ccc3OCC)nc12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.71
KDM4E B2RXH2 1/20 0.65
POLB P06746 1/20 0.62
KMT2A Q03164 1/20 0.61
PDE6C P51160 2/20 0.61
PDE2A O00408 1/20 0.61
PDE9A O76083 1/20 0.61
PDE4A P27815 1/20 0.61
PDE1A P54750 1/20 0.61
PDE11A Q9HCR9 1/20 0.61
PDE10A Q9Y233 1/20 0.61
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
ABCC5 O15440 1/20 0.59

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
SCHEMBL2798139 0.93 PDE5A (0.76) PDE5AKDM4EPOLBKMT2APDE6C
SCHEMBL2800172 0.88 KDM4E (0.73) PDE5AKDM4EPOLBKMT2APDE6C
SCHEMBL2794378 0.87 KDM4E (0.64) PDE5AKDM4EKMT2APDE6CPDE2A
SCHEMBL2799133 0.86 KDM4E (0.60) PDE5AKDM4EKMT2APDE6CPDE2A
SCHEMBL2803484 0.85 PDE5A (0.69) PDE5AKDM4EPOLBKMT2APDE6C
SCHEMBL2800423 0.85 KDM4E (0.77) PDE5AKDM4EPOLBKMT2APDE6C
SCHEMBL2799404 0.83 PDE5A (0.75) PDE5AKDM4EPOLBKMT2APDE6C
SCHEMBL2806791 0.83 KDM4E (0.77) PDE5AKDM4EPOLBKMT2APDE6C
SCHEMBL2803465 0.83 KDM4E (0.63) PDE5AKDM4EKMT2APDE6CPDE2A
SCHEMBL2800187 0.83 KDM4E (0.65) PDE5AKDM4EKMT2APDE6CPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253632-A1 Pyrazolopyramidinone derivatives, their preparation and their use Topharman Shanghai Co., Ltd. (CN) 2010-11-24 EP disclosed
EP-1961753-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE Topharman Shanghai Co., Ltd. (CN) 2008-08-27 EP disclosed