SCHEMBL4358006

SCHEMBL4358006

CN1CCN(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)c(C(N)=O)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.61
CHEK1 O14757 5/20 0.53
LMNA P02545 2/20 0.51
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
HTR6 P50406 1/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
MAPT P10636 3/20 0.45
ATM Q13315 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL4349506 0.93 IRAK4 (0.61) IRAK4CHEK1LMNAHDAC3PIM1
SCHEMBL4357764 0.91 IRAK4 (0.58) IRAK4CHEK1LMNAHDAC3HDAC2
SCHEMBL13818341 0.88 IRAK4 (0.55) IRAK4CHEK1HDAC3HDAC2
SCHEMBL13818665 0.85 IRAK4 (0.50) IRAK4CHEK1HDAC3HDAC2HTR6
SCHEMBL4361829 0.81 IRAK4 (0.61) IRAK4CHEK1LMNAPIM1PIM3
SCHEMBL13818373 0.81 IRAK4 (0.53) IRAK4CHEK1HDAC3HDAC2
SCHEMBL2080467 0.80 CHEK1 (0.55) IRAK4CHEK1LMNATDP1MAPT
SCHEMBL4357829 0.80 IRAK4 (0.75) IRAK4CHEK1HDAC2TLR7ATM
SCHEMBL13818544 0.79 IRAK4 (0.56) IRAK4CHEK1MAPT
SCHEMBL18427815 0.78 TDP1 (0.65) IRAK4CHEK1LMNATDP1TLR7

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