SCHEMBL6604067

SCHEMBL6604067

CC(C)N(CCOc1cccc(NC(=O)c2csc(-c3ccncc3)n2)c1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.56
MAPK1 P28482 2/20 0.55
IDE P14735 1/20 0.55
MAPK10 P53779 1/20 0.55
MAPT P10636 5/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.47
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 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
SCHEMBL6604027 0.94 MAPT (0.58) IRAK4MAPK1IDEMAPK10MAPT
SCHEMBL6604075 0.87 IRAK4 (0.56) IRAK4MAPK1IDEMAPK10MAPT
SCHEMBL6604053 0.86 MAPK1 (0.57) IRAK4MAPK1IDEMAPK10MAPT
SCHEMBL6603342 0.86 PANK3 (0.53) IRAK4MAPTKDM4ELMNAMEN1
SCHEMBL6603701 0.85 IRAK4 (0.45) IRAK4MAPK1IDEMAPK10MAPT
SCHEMBL6607004 0.84 IRAK4 (0.45) IRAK4MAPTKDM4ELMNAMEN1
SCHEMBL6604450 0.84 ROCK1 (0.54) MAPTMEN1KMT2APOLBKDM1A
SCHEMBL6607021 0.84 MCHR1 (0.54) IRAK4MAPK1IDEMAPK10MAPT
SCHEMBL6604994 0.81 NPSR1 (0.55) IRAK4MAPK1IDEMAPK10MAPT
SCHEMBL6604034 0.81 MAPT (0.58) IRAK4MAPK1IDEMAPK10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed