SCHEMBL17043301

SCHEMBL17043301

O=C1NC(=O)C(=Cc2cc(OCc3ccccc3)nc(N3CCN(c4ncccn4)CC3)n2)S1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.51
HPGD P15428 6/20 0.51
POLB P06746 2/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TTR P02766 1/20 0.49
BLM P54132 1/20 0.49
PLA2G1B P04054 1/20 0.49
HTT P42858 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
PIM1 P11309 1/20 0.44

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
SCHEMBL17043298 1.00 PTPN1 (0.51) PTPN1HPGDPOLBMAOAMAOB
SCHEMBL17043297 1.00 PTPN1 (0.51) PTPN1HPGDPOLBMAOAMAOB
SCHEMBL17043988 0.93 PTPN1 (0.51) PTPN1HPGDPOLBMAOAMAOB
SCHEMBL1915173 0.93 PTPN1 (0.51) PTPN1HPGDPOLBMAOAMAOB
SCHEMBL17043986 0.93 PTPN1 (0.51) PTPN1HPGDPOLBMAOAMAOB
SCHEMBL17043819 0.89 PTPN1 (0.46) PTPN1HPGDPOLBMAOAMAOB
SCHEMBL17043404 0.89 PTPN1 (0.46) PTPN1HPGDPOLBMAOAMAOB
SCHEMBL17043400 0.89 PTPN1 (0.46) PTPN1HPGDPOLBMAOAMAOB
SCHEMBL17043820 0.89 PTPN1 (0.46) PTPN1HPGDPOLBMAOAMAOB
SCHEMBL17043403 0.89 PTPN1 (0.46) PTPN1HPGDPOLBMAOAMAOB

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