SCHEMBL4357829

SCHEMBL4357829

NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1csc(-c2cccnc2)n1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.75
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MAPK1 P28482 1/20 0.55
ATM Q13315 1/20 0.55
CHEK1 O14757 1/20 0.54
TLR7 Q9NYK1 1/20 0.50
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC2 Q92769 1/20 0.47

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
SCHEMBL4361829 0.90 IRAK4 (0.61) IRAK4CHEK1CYP1A1CYP1A2CYP1B1
SCHEMBL18427808 0.86 IRAK4 (1.00) IRAK4NPC1RAB9AMAPK1ATM
SCHEMBL13818544 0.84 IRAK4 (0.56) IRAK4CHEK1
SCHEMBL13818547 0.82 NPC1 (0.68) IRAK4NPC1RAB9AMAPK1ATM
SCHEMBL2140489 0.82 NPC1 (0.77) IRAK4NPC1RAB9AMAPK1ATM
SCHEMBL16809297 0.82 IRAK4 (0.78) IRAK4NPC1RAB9AMAPK1ATM
SCHEMBL2137688 0.81 NPC1 (0.64) IRAK4NPC1RAB9AMAPK1ATM
SCHEMBL2140620 0.81 IRAK4 (0.67) IRAK4NPC1RAB9AMAPK1ATM
SCHEMBL4349506 0.80 IRAK4 (0.61) IRAK4CHEK1CYP1A2
SCHEMBL4358006 0.80 IRAK4 (0.61) IRAK4ATMCHEK1TLR7HDAC6

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