SCHEMBL7042535

SCHEMBL7042535

COc1ccc(-c2cccs2)n2nc(NC(=O)c3ccccc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 9/20 0.43
MAPK1 P28482 3/20 0.43
GAA P10253 2/20 0.43
ALOX15 P16050 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL7146666 0.92 ALDH1A1 (0.53) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7042500 0.91 MAPT (0.46) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL7041685 0.91 GABRD (0.47) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL7041864 0.89 HDAC6 (0.44) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL7147869 0.89 NPC1 (0.56) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7043536 0.89 MAPT (0.48) CYP1A2CYP2C19KDM4EALDH1A1MEN1
SCHEMBL7148818 0.87 KDM4E (0.42) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7145678 0.86 MAPT (0.44) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL7151229 0.86 KMT2A (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6870164 0.85 KDM4E (0.58) KDM4EMAPTHSD17B10SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
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
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