SCHEMBL9604339

SCHEMBL9604339

NC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(O)nc2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TLR7 Q9NYK1 8/20 0.48
CHEK1 O14757 1/20 0.48
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL2141469 0.85 RAB9A (0.46) IRAK4NPC1RAB9ATLR7CHEK1
SCHEMBL2140404 0.85 IRAK4 (0.55) IRAK4NPC1RAB9ATLR7CHEK1
SCHEMBL18427815 0.85 TDP1 (0.65) IRAK4NPC1RAB9ATLR7CHEK1
SCHEMBL2138888 0.83 IRAK4 (0.74) IRAK4NPC1RAB9ATLR7CHEK1
SCHEMBL12658132 0.83 LMNA (0.48) IRAK4NPC1RAB9ATLR7CHEK1
SCHEMBL2138509 0.83 CHEK1 (0.59) IRAK4NPC1RAB9ATLR7CHEK1
SCHEMBL2140234 0.80 IRAK4 (0.56) IRAK4NPC1RAB9ATLR7CHEK1
SCHEMBL2919406 0.79 IRAK4 (0.52) IRAK4NPC1RAB9ATLR7CHEK1
SCHEMBL2771222 0.77 RAB9A (0.60) IRAK4NPC1RAB9ACHEK1LMNA
SCHEMBL1829073 0.77 CHEK1 (0.67) NPC1RAB9ACHEK1

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-2231652-B1 NOVEL 2-HETARYL THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Bayer Pharma AG (DE) 2012-05-30 EP disclosed
WO-2009074246-A1 NOVEL 2-HETARYL THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed
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