SCHEMBL5249689

SCHEMBL5249689

COc1cc(OC)c(-c2nc(NC3CCCC3)c3c(C)c(C#N)sc3n2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 6/20 0.44
PDE7A Q13946 1/20 0.41
PDE7B Q9NP56 1/20 0.41
CCR4 P51679 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL2838722 0.85 PDE7A (0.58) NSD2PDE7APDE7BCCR4KDM4E
SCHEMBL2840769 0.83 PDE7A (0.56) NSD2PDE7APDE7BKDM4EALDH1A1
SCHEMBL2840085 0.81 PDE7A (0.52) NSD2PDE7APDE7BKDM4EALDH1A1
SCHEMBL2842652 0.77 NSD2 (0.39) NSD2KDM4EALDH1A1GAAHPGD
SCHEMBL2833872 0.76 PDE7A (0.39) NSD2PDE7APDE7BKDM4EALDH1A1
SCHEMBL2838381 0.75 APP (0.41) NSD2KMT2A
SCHEMBL2834007 0.74 ALDH1A1 (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2843182 0.74 SMN1; SMN2 (0.39) NSD2PDE7APDE7BKDM4EALDH1A1
SCHEMBL5246234 0.71 HSD17B10 (0.39) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2843719 0.70 PTGS2 (0.46) PDE7APDE7BKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590352-B1 4-AMINOTHIENO [2,3-d] PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS ALMIRALL LAB (ES) 2007-06-27 EP disclosed