SCHEMBL6875680

SCHEMBL6875680

COc1ccc(-c2ccsc2)n2nc(N)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.44
PDE4D Q08499 9/20 0.43
HSP90AB1 P08238 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
JAK1 P23458 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDR P35968 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37

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
SCHEMBL2250839 0.81 PDE4D (0.64) PDE10APDE4DHSP90AB1JAK1
SCHEMBL7043078 0.80 JAK1 (0.60) PDE10APDE4DHSP90AB1JAK1
SCHEMBL7144538 0.80 PDE4D (0.49) PDE10APDE4DHSP90AB1JAK1TUBB4A
SCHEMBL7146898 0.78 KDM4E (0.51) PDE10APDE4DJAK1NPC1RAB9A
SCHEMBL2257907 0.78 MAPT (0.49) PDE10APDE4DHSP90AB1JAK1
SCHEMBL7143153 0.76 PDE4D (0.46) PDE10APDE4DHSP90AB1JAK1TUBB4A
SCHEMBL7145674 0.75 PDE10A (0.50) PDE10APDE4DHSP90AB1JAK1RAB9A
SCHEMBL7043841 0.75 MAPT (0.51) PDE10APDE4DHSP90AB1JAK1
SCHEMBL7146570 0.74 PDE4D (0.48) PDE10APDE4DJAK1NPC1TUBB4A
SCHEMBL6876513 0.74 PDE4D (0.48) PDE10APDE4DPDGFRBPDGFRAJAK1

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 6 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