SCHEMBL4357764

SCHEMBL4357764

CN1CCN(c2ccc(NC(=O)c3csc(-c4cccc(Cl)c4)n3)c(C(N)=O)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.58
CHEK1 O14757 2/20 0.51
TLR7 Q9NYK1 1/20 0.50
JAK2 O60674 2/20 0.49
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48
ATM Q13315 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
F10 P00742 3/20 0.46

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
SCHEMBL4358006 0.91 IRAK4 (0.61) IRAK4CHEK1TLR7ATMKDM4E
SCHEMBL13818341 0.88 IRAK4 (0.55) IRAK4CHEK1JAK2JAK3BTK
SCHEMBL4349506 0.88 IRAK4 (0.61) IRAK4CHEK1MEN1LMNAMAPT
SCHEMBL13818665 0.82 IRAK4 (0.50) IRAK4CHEK1SMN1; SMN2F10NPC1
SCHEMBL13818373 0.82 IRAK4 (0.53) IRAK4CHEK1JAK2JAK3BTK
SCHEMBL13818544 0.79 IRAK4 (0.56) IRAK4CHEK1JAK2JAK3MAPT
SCHEMBL4357829 0.77 IRAK4 (0.75) IRAK4CHEK1TLR7ATMNPC1
SCHEMBL4361829 0.77 IRAK4 (0.61) IRAK4CHEK1MEN1LMNAMAPT
SCHEMBL2080467 0.74 CHEK1 (0.55) IRAK4CHEK1ATMKDM4EMEN1
SCHEMBL2140489 0.73 NPC1 (0.77) IRAK4CHEK1TLR7ATMGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070916-A1 2-Arylthiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP claimed
EP-2070916-A1 2-Arylthiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP disclosed
EP-2070916-A1 2-Arylthiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP disclosed