SCHEMBL5211464

SCHEMBL5211464

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
MPO P05164 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
MAP3K8 P41279 1/20 0.39
PKM P14618 1/20 0.36
GCGR P47871 2/20 0.36
ADCY6 O43306 1/20 0.36
ADCY3 O60266 1/20 0.36
ADCY9 O60503 1/20 0.36
ADCY5 O95622 1/20 0.36
ADCY8 P40145 1/20 0.36
ADCY7 P51828 1/20 0.36
ADCY2 Q08462 1/20 0.36
ADCY1 Q08828 1/20 0.36
ADCY4 Q8NFM4 1/20 0.36
NR1I2 O75469 3/20 0.35
FGFR2 P21802 3/20 0.35
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
CCNC P24863 1/20 0.33

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
SCHEMBL5218139 0.90 PIK3CD (0.43) PIK3CDMPOCYSLTR1MAP3K8PKM
SCHEMBL5212507 0.90 PIK3CD (0.43) PIK3CDMPOCYSLTR1MAP3K8PKM
SCHEMBL5212435 0.89 PIK3CD (0.42) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5215059 0.89 MPO (0.46) PIK3CDMPOCYSLTR1PKMFGFR2
SCHEMBL5212891 0.86 PIK3CD (0.47) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5215860 0.84 PIK3CD (0.44) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5215051 0.83 PIK3CD (0.43) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5216343 0.83 PIK3CD (0.43) PIK3CDMPOCYSLTR1PKMCCNC
SCHEMBL5211776 0.77 PIK3CD (0.45) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5217976 0.75 GCGR (0.37) PIK3CDMPOCYSLTR1PKMGCGR

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