SCHEMBL5212435

SCHEMBL5212435

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
MPO P05164 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
GCGR P47871 14/20 0.38
GIPR P48546 4/20 0.37
PKM P14618 1/20 0.36
CSNK1D P48730 1/20 0.36
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35

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
SCHEMBL5212507 0.91 PIK3CD (0.43) PIK3CDMPOCYSLTR1CCNCCDK8
SCHEMBL5211464 0.89 PIK3CD (0.42) PIK3CDMPOCYSLTR1CCNCCDK8
SCHEMBL5218139 0.89 PIK3CD (0.43) PIK3CDMPOCYSLTR1CCNCCDK8
SCHEMBL5215059 0.88 MPO (0.46) PIK3CDMPOCYSLTR1CCNCCDK8
SCHEMBL5212891 0.85 PIK3CD (0.47) PIK3CDMPOCYSLTR1CCNCCDK8
SCHEMBL5215860 0.83 PIK3CD (0.44) PIK3CDMPOCYSLTR1CCNCCDK8
SCHEMBL5216343 0.83 PIK3CD (0.43) PIK3CDMPOCYSLTR1CCNCCDK8
SCHEMBL5215051 0.83 PIK3CD (0.43) PIK3CDMPOCYSLTR1CCNCCDK8
SCHEMBL5211776 0.76 PIK3CD (0.45) PIK3CDMPOCYSLTR1GCGRGIPR
SCHEMBL5217976 0.75 GCGR (0.37) PIK3CDMPOCYSLTR1GCGRGIPR

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