SCHEMBL5217315

SCHEMBL5217315

COc1cc2c(Oc3ccc(C4CCCCC4)cc3C#N)c(OC(=O)Nc3nn[nH]n3)sc2cc1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
MPO P05164 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
FASN P49327 1/20 0.34
PKM P14618 1/20 0.32
LRRK2 Q5S007 1/20 0.31
TEK Q02763 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDR P35968 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
SCHEMBL5211776 0.90 PIK3CD (0.45) PIK3CDMPOCYSLTR1PKMTEK
SCHEMBL5215860 0.81 PIK3CD (0.44) PIK3CDMPOCYSLTR1PKM
SCHEMBL5215051 0.80 PIK3CD (0.43) PIK3CDMPOCYSLTR1PKM
SCHEMBL5212891 0.80 PIK3CD (0.47) PIK3CDMPOCYSLTR1PKMMEN1
SCHEMBL5217976 0.79 GCGR (0.37) PIK3CDMPOCYSLTR1PKM
SCHEMBL4762850 0.78 PDE4A (0.35) PIK3CDPGRNR3C2FASN
SCHEMBL5218139 0.76 PIK3CD (0.43) PIK3CDMPOCYSLTR1PKMKDR
SCHEMBL5212507 0.76 PIK3CD (0.43) PIK3CDPGRMPOCYSLTR1PKM
SCHEMBL5211464 0.75 PIK3CD (0.42) PIK3CDMPOCYSLTR1PKM
SCHEMBL5212435 0.74 PIK3CD (0.42) PIK3CDMPOCYSLTR1PKM

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