SCHEMBL7146570

SCHEMBL7146570

COc1ccc(-c2cccc(Cl)c2)n2nc(N)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.48
FYN P06241 1/20 0.46
PDE10A Q9Y233 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42

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
SCHEMBL7043841 0.86 MAPT (0.51) PDE4DFYNPDE10AMAPTTSHR
SCHEMBL7145674 0.86 PDE10A (0.50) PDE4DPDE10ATSHRJAK1
SCHEMBL6876513 0.85 PDE4D (0.48) PDE4DFYNPDE10AMAPTJAK1
SCHEMBL7146898 0.84 KDM4E (0.51) PDE4DPDE10ANPC1SMN1; SMN2TUBB4A
SCHEMBL2250839 0.84 PDE4D (0.64) PDE4DPDE10AMAPTJAK1NUDT1
SCHEMBL7150018 0.82 DYRK3 (0.47) PDE4DFYNPDE10ATSHRSMN1; SMN2
SCHEMBL7146861 0.81 PDE4D (0.70) PDE4DFYN
SCHEMBL7041043 0.81 PDE4D (0.46) PDE4DFYNMAPTTSHRJAK1
SCHEMBL7144542 0.78 PDE4D (0.53) PDE4DFYN
SCHEMBL7043078 0.78 JAK1 (0.60) PDE4DPDE10AMAPTJAK1

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
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