SCHEMBL7042523

SCHEMBL7042523

COc1ccc(I)n2nc(N)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.44
JAK2 O60674 2/20 0.42
HSP90AB1 P08238 7/20 0.42
JAK1 P23458 1/20 0.36
PDE4D Q08499 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34

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
SCHEMBL4066707 0.81 PDE10A (0.45) PDE10AJAK2HSP90AB1JAK1PDE4D
SCHEMBL7851265 0.80 PDE10A (0.44) PDE10AJAK2HSP90AB1JAK1PDE4D
SCHEMBL2250839 0.75 PDE4D (0.64) PDE10AJAK2HSP90AB1JAK1PDE4D
SCHEMBL7144538 0.74 PDE4D (0.49) PDE10AHSP90AB1JAK1PDE4DKDM4E
SCHEMBL7043078 0.74 JAK1 (0.60) PDE10AHSP90AB1JAK1PDE4DKDM4E
SCHEMBL7930217 0.73 PDE10A (0.32) PDE10APDE4DALDH1A1MAPT
SCHEMBL2257907 0.73 MAPT (0.49) PDE10AJAK2HSP90AB1JAK1PDE4D
SCHEMBL7146898 0.73 KDM4E (0.51) PDE10AJAK1PDE4DKDM4EALDH1A1
SCHEMBL7143142 0.72 JAK2 (0.48) PDE10AJAK2HSP90AB1PDE4DMAPT
SCHEMBL3469402 0.71 PDE4A (0.58) PDE4D

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 5 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 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