SCHEMBL6604870

SCHEMBL6604870

CCCN(CCC)CCOc1cc(NC(=O)c2sc(-c3ccncc3)nc2C)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
POLB P06746 2/20 0.52
MET P08581 2/20 0.46
CDC7 O00311 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
MCHR1 Q99705 1/20 0.45
EGFR P00533 1/20 0.44
ROCK1 Q13464 1/20 0.44
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 1/20 0.43
TBK1 Q9UHD2 1/20 0.41
CLK1 P49759 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41

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
SCHEMBL7723576 0.94 MAPT (0.53) MAPTPOLBMETCDC7DBF4
SCHEMBL6602810 0.92 MCHR1 (0.54) MAPTPOLBMETMCHR1EGFR
SCHEMBL6602555 0.91 MAPT (0.52) MAPTPOLBMETMCHR1EGFR
SCHEMBL6605515 0.90 NR1H4 (0.53) MAPTMETMCHR1MEN1KMT2A
SCHEMBL6604858 0.88 MCHR1 (0.53) MAPTPOLBMCHR1ROCK1PPID
SCHEMBL6603526 0.88 MAPT (0.44) MAPTPOLBMETCDC7DBF4
SCHEMBL6603893 0.86 MCHR1 (0.61) MAPTPOLBMETMCHR1EGFR
SCHEMBL6603157 0.85 MAPT (0.53) MAPTMETMCHR1EGFRMEN1
SCHEMBL6607034 0.84 MAPT (0.50) MAPTPOLBMCHR1MEN1KMT2A
SCHEMBL6604459 0.84 MAPT (0.52) MAPTPOLBCDC7DBF4ROCK1

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