SCHEMBL2800945

SCHEMBL2800945

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC(Cc4ccccc4)CN(C)C)ccc3OCC)nc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
PDE5A O76074 16/20 0.68
KMT2A Q03164 1/20 0.64
PDE2A O00408 1/20 0.62
PDE9A O76083 1/20 0.62
PDE4A P27815 1/20 0.62
PDE6C P51160 1/20 0.62
PDE1A P54750 1/20 0.62
PDE11A Q9HCR9 1/20 0.62
PDE10A Q9Y233 1/20 0.62
POLB P06746 1/20 0.61
ABCC5 O15440 1/20 0.60

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
SCHEMBL2801405 0.92 KDM4E (0.71) KDM4EPDE5AKMT2APDE2APDE9A
SCHEMBL2801707 0.90 PDE5A (0.69) KDM4EPDE5AKMT2APDE2APDE9A
SCHEMBL2800689 0.88 KDM4E (0.76) KDM4EPDE5AKMT2APDE2APDE9A
SCHEMBL2803294 0.87 KDM4E (0.63) KDM4EPDE5AKMT2APDE2APDE9A
SCHEMBL2802513 0.86 PDE5A (0.62) KDM4EPDE5AKMT2APDE2APDE9A
SCHEMBL7094034 0.85 KDM4E (0.83) KDM4EPDE5AKMT2APDE2APDE9A
SCHEMBL2806791 0.84 KDM4E (0.77) KDM4EPDE5AKMT2APDE2APDE9A
SCHEMBL2800423 0.84 KDM4E (0.77) KDM4EPDE5AKMT2APDE2APDE9A
SCHEMBL2795731 0.83 KDM4E (0.68) KDM4EPDE5AKMT2APDE2APDE9A
SCHEMBL2799404 0.83 PDE5A (0.75) KDM4EPDE5AKMT2APDE2APDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253632-B1 Pyrazolopyramidinone derivatives, their preparation and their use TOPHARMAN SHANGHAI CO LTD (CN) 2012-05-23 EP disclosed
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