SCHEMBL4559829

SCHEMBL4559829

C[C@@H](Nc1nccc(NC2=C(N[C@H](C)C(C)(C)C)CC2)n1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 11/20 0.68
HTR7 P34969 5/20 0.51
ADRA1D P25100 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
IDH1 O75874 2/20 0.43
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
MAP2K2 P36507 1/20 0.42
CDK7 P50613 1/20 0.42
MAPK14 Q16539 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
SCHEMBL4559827 1.00 PLK1 (0.68) PLK1HTR7ADRA1DHTR2CADRA1A
SCHEMBL1928042 0.81 PLK1 (1.00) PLK1CSF1R
SCHEMBL1928039 0.81 PLK1 (1.00) PLK1CSF1R
SCHEMBL10219318 0.71 HTR7 (0.53) PLK1HTR7ADRA1DHTR2CADRA1A
SCHEMBL7014490 0.70 HTR7 (0.59) PLK1HTR7ADRA1DHTR2CADRA1A
SCHEMBL14629467 0.69 HTR7 (0.57) PLK1HTR7ADRA1DHTR2CADRA1A
SCHEMBL10271508 0.68 HTR7 (0.56) PLK1HTR7ADRA1DHTR2CADRA1A
SCHEMBL17076676 0.68 MAPK14 (0.56) PLK1HTR7ADRA1DHTR2CADRA1A
SCHEMBL28120957 0.68 HTR7 (0.57) PLK1HTR7ADRA1DHTR2CADRA1A
SCHEMBL1600112 0.68 HTR7 (0.56) PLK1HTR7ADRA1DHTR2CADRA1A

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-2021316-A1 INHIBITORS OF POLO-LIKE KINASES Abbott Laboratories (US) 2009-02-11 EP disclosed
WO-2007140233-A1 INHIBITORS OF POLO-LIKE KINASES ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed