SCHEMBL17043608

SCHEMBL17043608

O=C1NC(=O)/C(=C/c2cc(OCc3ccco3)nc(N3CCN(c4ncccn4)CC3)n2)S1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.54
PIM1 P11309 2/20 0.42
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MTOR P42345 1/20 0.38
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TTR P02766 1/20 0.36
BLM P54132 1/20 0.36
PLA2G1B P04054 1/20 0.36
HTT P42858 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
PTPN1 P18031 3/20 0.35
AKR1B1 P15121 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL17043609 1.00 HPGD (0.54) HPGDPIM1HTR2AHTR2CMTOR
SCHEMBL17043611 1.00 HPGD (0.54) HPGDPIM1HTR2AHTR2CMTOR
SCHEMBL17043384 0.91 HPGD (0.52) HPGDPIM1HTR2AHTR2CMTOR
SCHEMBL17043390 0.91 HPGD (0.52) HPGDPIM1HTR2AHTR2CMTOR
SCHEMBL17043387 0.91 HPGD (0.52) HPGDPIM1HTR2AHTR2CMTOR
SCHEMBL17043286 0.89 HPGD (0.49) HPGDPIM1HTR2AHTR2CMTOR
SCHEMBL17043285 0.89 HPGD (0.49) HPGDPIM1HTR2AHTR2CMTOR
SCHEMBL17043283 0.89 HPGD (0.49) HPGDPIM1HTR2AHTR2CMTOR
SCHEMBL17043775 0.89 HPGD (0.49) HPGDPIM1HTR2AHTR2CMTOR
SCHEMBL17043772 0.89 HPGD (0.49) HPGDPIM1HTR2AHTR2CMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516425-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2015-09-02 EP disclosed