SCHEMBL5225302

SCHEMBL5225302

COc1cc2sc(OC(=O)Nc3nnn[nH]3)c(SC3CCCCC3)c2cc1OC

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.32
STK17B O94768 2/20 0.32
PDGFRA P16234 2/20 0.30
KIT P10721 1/20 0.30
PDGFRB P09619 1/20 0.30

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
SCHEMBL5226252 0.99 PIK3CD (0.32) PIK3CDSTK17BPDGFRAPDGFRB
SCHEMBL5228680 0.94 PIK3CD (0.38) PIK3CD
SCHEMBL5230676 0.93 PIK3CD (0.36) PIK3CD
SCHEMBL5226593 0.91 PIK3CD (0.31) PIK3CD
SCHEMBL5227163 0.89 POLB (0.31) PIK3CD
SCHEMBL5227538 0.88 MPO (0.36)
SCHEMBL5224808 0.87 MPO (0.37)
SCHEMBL5224156 0.86 ADRA1D (0.30)
SCHEMBL5225473 0.76 METAP2 (0.38)
SCHEMBL5213315 0.74 PDGFRA (0.33) PIK3CDPDGFRAKIT

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-1636212-B1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO¬B|THIOPHENES AS THERAPEUTIC AGENTS WARNER LAMBERT CO (US) 2007-06-27 EP claimed