SCHEMBL4361829

SCHEMBL4361829

NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1csc(-c2ccncc2)n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.61
CHEK1 O14757 3/20 0.50
MAPKAPK2 P49137 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43

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
SCHEMBL4357829 0.90 IRAK4 (0.75) IRAK4CHEK1CYP1A1CYP1A2CYP1B1
SCHEMBL4349506 0.89 IRAK4 (0.61) IRAK4CHEK1MAPKAPK2MAPTLMNA
SCHEMBL13818544 0.84 IRAK4 (0.56) IRAK4CHEK1MAPT
SCHEMBL4358006 0.81 IRAK4 (0.61) IRAK4CHEK1MAPTLMNAMEN1
SCHEMBL13818359 0.80 IRAK4 (0.54) IRAK4CHEK1MAPTLMNAMEN1
SCHEMBL13818339 0.77 IRAK4 (0.54) IRAK4CHEK1MAPT
SCHEMBL14704286 0.77 IRAK4 (0.56) IRAK4CHEK1MAPTLMNAMEN1
SCHEMBL4357764 0.77 IRAK4 (0.58) IRAK4CHEK1MAPKAPK2MAPTLMNA
SCHEMBL2138509 0.77 CHEK1 (0.59) IRAK4CHEK1MAPTLMNAMEN1
SCHEMBL2552448 0.77 IRAK4 (0.60) IRAK4MAPKAPK2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070924-A1 New 2 hetarylthiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP claimed
EP-2070924-A1 New 2 hetarylthiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP disclosed