SCHEMBL14197166

SCHEMBL14197166

CC(C)(C)NC(=O)N1CC(c2nc(NC3CCCCC3)c(C=N)c(=O)[nH]2)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.33
PDE10A Q9Y233 2/20 0.33
PLAU P00749 1/20 0.32
PRSS1 P07477 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
BRS3 P32247 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
FYN P06241 1/20 0.31
LMNA P02545 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL14197172 0.88 LMNA (0.40) PDE10AKDM4EPOLBLMNAL3MBTL1
SCHEMBL14196304 0.84 PDE10A (0.34) IRAK4PDE10AKDM4EPOLBFYN
SCHEMBL14197179 0.83 ADORA1 (0.36) L3MBTL1
SCHEMBL14196672 0.83 IRAK4 (0.33) IRAK4PDE10AKDM4EPOLBL3MBTL1
SCHEMBL14196014 0.82 JAK3 (0.33) IRAK4PDE10A
SCHEMBL14196447 0.82 IRAK4 (0.41) IRAK4
SCHEMBL14196024 0.81 USP30 (0.35) IRAK4PDE10AKDM4ELMNAL3MBTL1
SCHEMBL14197165 0.81 EPHX1 (0.39) IRAK4PDE10A
SCHEMBL14197163 0.78 PKM (0.40) POLBLMNA
SCHEMBL14196007 0.78 IRAK4 (0.35) IRAK4FYN

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