SCHEMBL5215860

SCHEMBL5215860

COc1cc2c(Oc3ccc(C4CCOCC4)cc3)c(OC(=O)Nc3nn[nH]n3)sc2cc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
MPO P05164 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
ITK Q08881 1/20 0.34
PKM P14618 1/20 0.33
KDM1A O60341 2/20 0.32
IL2 P60568 1/20 0.31
MAP4K1 Q92918 1/20 0.31
GCGR P47871 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
P2RY1 P47900 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
SCHEMBL5215051 0.91 PIK3CD (0.43) PIK3CDMPOCYSLTR1ITKPKM
SCHEMBL4942765 0.88 PIK3CD (0.54) PIK3CDMPOCYSLTR1ITKPKM
SCHEMBL5212891 0.86 PIK3CD (0.47) PIK3CDMPOCYSLTR1ITKPKM
SCHEMBL5212507 0.85 PIK3CD (0.43) PIK3CDMPOCYSLTR1PKMCCNC
SCHEMBL5218139 0.85 PIK3CD (0.43) PIK3CDMPOCYSLTR1PKMCCNC
SCHEMBL5215059 0.84 MPO (0.46) PIK3CDMPOCYSLTR1PKMCCNC
SCHEMBL5211464 0.84 PIK3CD (0.42) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5217976 0.83 GCGR (0.37) PIK3CDMPOCYSLTR1ITKPKM
SCHEMBL5212435 0.83 PIK3CD (0.42) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5211776 0.83 PIK3CD (0.45) PIK3CDMPOCYSLTR1PKMKDM1A

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