SCHEMBL6604459

SCHEMBL6604459

CCCN(CCC)CCOc1cccc(NC(=O)c2sc(-c3ccncc3)nc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
POLB P06746 2/20 0.52
CLK1 P49759 1/20 0.51
ROCK1 Q13464 2/20 0.49
GRK5 P34947 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DYRK1A Q13627 1/20 0.44
PARP1 P09874 1/20 0.44
LMNA P02545 1/20 0.44
ROCK2 O75116 1/20 0.43
THRB P10828 1/20 0.43
NR3C1 P04150 1/20 0.42

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
SCHEMBL6606889 0.93 PARP1 (0.51) MAPTPOLBNR1H4MEN1KMT2A
SCHEMBL6602409 0.90 MAPT (0.51) MAPTPOLBNR1H4MEN1KMT2A
SCHEMBL6607030 0.90 NR1H4 (0.62) MAPTPOLBCLK1NR1H4MEN1
SCHEMBL6604450 0.88 ROCK1 (0.54) MAPTPOLBCLK1ROCK1GRK5
SCHEMBL6603227 0.86 MAPT (0.58) MAPTPOLBNR1H4MEN1KMT2A
SCHEMBL6604870 0.84 MAPT (0.52) MAPTPOLBCLK1ROCK1MEN1
SCHEMBL6604075 0.84 IRAK4 (0.56) MAPTPOLBROCK1NR1H4MEN1
SCHEMBL6606883 0.80 PARP1 (0.51) MAPTPOLBNR1H4MEN1KMT2A
SCHEMBL7723576 0.78 MAPT (0.53) MAPTPOLBCLK1ROCK1MEN1
SCHEMBL6602401 0.78 MAPT (0.51) MAPTPOLBNR1H4MEN1KMT2A

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-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP 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