SCHEMBL7043841

SCHEMBL7043841

COc1cccc(-c2ccc(OC)c3nc(N)nn23)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ PDE4D Q08499 11/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ EGLN2 Q96KS0 1/20 0.46
▸ HSP90AB1 P08238 2/20 0.46
▸ FYN P06241 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.45

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
SCHEMBL7041043 0.89 PDE4D (0.46) MAPTTDP1PDE4DALDH1A1HPGD
SCHEMBL7145674 0.87 PDE10A (0.50) PDE4DHPGDTSHRJAK1HSP90AB1
SCHEMBL7146570 0.86 PDE4D (0.48) MAPTPDE4DTSHRJAK1FYN
SCHEMBL6876513 0.86 PDE4D (0.48) MAPTPDE4DJAK1FYNPDE10A
SCHEMBL2250839 0.85 PDE4D (0.64) MAPTPDE4DKDM4EJAK1HSP90AB1
SCHEMBL7043078 0.84 JAK1 (0.60) MAPTTDP1PDE4DKDM4EALDH1A1
SCHEMBL7150018 0.83 DYRK3 (0.47) PDE4DKDM4EALDH1A1HPGDTSHR
SCHEMBL7146861 0.82 PDE4D (0.70) PDE4DFYN
SCHEMBL508900 0.81 PDE4D (0.76) PDE4D
SCHEMBL3304801 0.80 JAK1 (0.75) MAPTTDP1KDM4EALDH1A1HPGD

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
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 — — US claimed
EP-1412352-A1 8-METHOXY-(1,2,4)TRIAZOLO(1,5-A)PYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-28 — — EP disclosed
WO-2003010167-A1 8-METHOXY-(1,2,4)TRIAZOLO(1,5-A)PYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-06 — — WO disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 — — US disclosed
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