SCHEMBL14196007

SCHEMBL14196007

N=Cc1c(NC2CCCCC2)nc(C2CNC2)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.35
FYN P06241 1/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
CHRM3 P20309 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33

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
SCHEMBL14196304 0.81 PDE10A (0.34) IRAK4FYN
SCHEMBL14196317 0.80 IRAK4 (0.37) IRAK4
SCHEMBL14196447 0.80 IRAK4 (0.41) IRAK4
SCHEMBL14197177 0.79 IRAK4 (0.38) IRAK4
SCHEMBL14196014 0.78 JAK3 (0.33) IRAK4
SCHEMBL14196626 0.78 IRAK4 (0.36) IRAK4FYNABL1RIN1CHRM3
SCHEMBL14196636 0.78 ABL1 (0.34) IRAK4ABL1RIN1JAK2JAK1
SCHEMBL14197166 0.78 IRAK4 (0.33) IRAK4FYN
SCHEMBL14196298 0.77 CDC7 (0.31)
SCHEMBL14197179 0.77 ADORA1 (0.36)

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
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO disclosed