SCHEMBL18290658

SCHEMBL18290658

CCCCOCc1nn(C(C)c2ccc(C)cc2)c(N)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.50
RET P07949 2/20 0.36
SRC P12931 4/20 0.34
KCNH2 Q12809 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
LMNA P02545 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL18290693 0.89 PDE2A (0.48) PDE2ARETSRCKCNH2
SCHEMBL18290682 0.89 PDE2A (0.50) PDE2ARETSRCKCNH2MEN1
SCHEMBL18291817 0.88 PDE2A (0.56) PDE2A
SCHEMBL18291819 0.88 PDE2A (0.49) PDE2ASRCKCNH2
SCHEMBL18291902 0.88 PDE2A (0.49) PDE2ARETSRCKCNH2MEN1
SCHEMBL18290659 0.87 PDE2A (0.53) PDE2AALDH1A1
SCHEMBL18291814 0.86 PDE2A (0.52) PDE2ASRCKCNH2MEN1ALDH1A1
SCHEMBL18283117 0.83 PDE2A (0.69) PDE2ARETALDH1A1MAPTRECQL
SCHEMBL20150745 0.83 PDE2A (0.46) PDE2ARETSRCKCNH2ALDH1A1
SCHEMBL18290830 0.82 PDE2A (0.75) PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016196071-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016191935-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016196417-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016192083-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed