SCHEMBL5213315

SCHEMBL5213315

COc1cc2sc(OC(=O)Nc3nnn[nH]3)c(OCc3ccccc3OCC3CCCCC3)c2cc1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 2/20 0.33
F10 P00742 1/20 0.33
KIT P10721 1/20 0.33
PLK1 P53350 2/20 0.32
PDE4B Q07343 3/20 0.32
HPGD P15428 2/20 0.32
PIK3CD O00329 1/20 0.32
IDH1 O75874 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
RIPK1 Q13546 2/20 0.31
ELANE P08246 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31
EPHB4 P54760 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL4762896 0.78 ELANE (0.41) PLK1PDE4BHPGDIDH1PARP15
SCHEMBL5224156 0.72 ADRA1D (0.30)
SCHEMBL9377138 0.72 SENP5 (0.47) KDM4E
SCHEMBL5227163 0.70 POLB (0.31) PIK3CD
SCHEMBL5228680 0.69 PIK3CD (0.38) PIK3CD
SCHEMBL5225473 0.68 METAP2 (0.38) MAPT
SCHEMBL6292164 0.66 NUDT1 (0.42) PDGFRAKITKDR
SCHEMBL6021540 0.66 STING1 (0.46) PLK1PDE4BPARP15PARP10ELANE
SCHEMBL6021255 0.66 STING1 (0.46) PLK1PDE4BPARP15PARP10ELANE
SCHEMBL5227538 0.65 MPO (0.36) MAPT

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-1636213-B1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER LAMBERT CO (US) 2007-06-13 EP claimed