SCHEMBL13638843

SCHEMBL13638843

O=Cc1cc(CN2C[C@@H]3C[C@H]2CO3)ccc1N=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
PDE1B Q01064 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
METTL3 Q86U44 1/20 0.35
IDH1 O75874 1/20 0.34
BRAF P15056 3/20 0.32
PDE10A Q9Y233 2/20 0.32
PDE7B Q9NP56 4/20 0.31
DGKZ Q13574 1/20 0.31

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
SCHEMBL13638971 0.73 SIGMAR1 (0.43)
SCHEMBL13638752 0.71 GRM2 (0.43) CCNCCDK8PRMT5WDR77
SCHEMBL13270625 0.70 CCNC (0.40) CCNCCDK8PDE1BJAK2JAK1
SCHEMBL1929059 0.70 JAK2 (0.43) CCNCCDK8PDE1BJAK2JAK1
SCHEMBL15312373 0.70 TLR7 (0.45) CCNCCDK8PDE1BJAK2JAK1
SCHEMBL9953012 0.70 TLR7 (0.45) CCNCCDK8PDE1BJAK2JAK1
SCHEMBL15324898 0.70 TLR7 (0.43) CCNCCDK8PDE1BJAK2JAK1
SCHEMBL22425610 0.70 TLR7 (0.43) CCNCCDK8PDE1BJAK2JAK1
SCHEMBL13638957 0.70 HRH3 (0.49)
SCHEMBL13638748 0.69 ADORA2A (0.35)

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed