SCHEMBL5211776

SCHEMBL5211776

COc1cc2c(Oc3ccc(C4CCCCC4)cc3Cl)c(OC(=O)Nc3nn[nH]n3)sc2cc1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
PKM P14618 1/20 0.36
MPO P05164 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TEK Q02763 3/20 0.31
KDR P35968 1/20 0.31
KDM1A O60341 1/20 0.31
EPHX1 P07099 1/20 0.31
GCGR P47871 3/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
CMA1 P23946 1/20 0.30
KCNJ6 P48051 1/20 0.30
KCNJ3 P48549 1/20 0.30
GIPR P48546 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
SCHEMBL5217315 0.90 PIK3CD (0.43) PIK3CDPKMMPOCYSLTR1MEN1
SCHEMBL5215860 0.83 PIK3CD (0.44) PIK3CDPKMMPOCYSLTR1KDM1A
SCHEMBL5215051 0.82 PIK3CD (0.43) PIK3CDPKMMPOCYSLTR1GCGR
SCHEMBL5212891 0.81 PIK3CD (0.47) PIK3CDPKMMPOCYSLTR1MEN1
SCHEMBL5217976 0.81 GCGR (0.37) PIK3CDPKMMPOCYSLTR1KDM1A
SCHEMBL5215059 0.78 MPO (0.46) PIK3CDPKMMPOCYSLTR1
SCHEMBL5212507 0.78 PIK3CD (0.43) PIK3CDPKMMPOCYSLTR1MEN1
SCHEMBL5218139 0.78 PIK3CD (0.43) PIK3CDPKMMPOCYSLTR1KDR
SCHEMBL5211464 0.77 PIK3CD (0.42) PIK3CDPKMMPOCYSLTR1GCGR
SCHEMBL4773675 0.76 DYRK1A (0.37) PIK3CD

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