SCHEMBL799015

SCHEMBL799015

Cc1cccc2cc(Cn3cnc4c(N)ncnc43)c(N3CCCC3S(C)(=O)=O)nc12

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.78

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
SCHEMBL788787 0.88 PIK3CD (1.00) PIK3CD
SCHEMBL788878 0.82 PIK3CD (1.00) PIK3CD
SCHEMBL794124 0.79 PIK3CD (1.00) PIK3CD
SCHEMBL788788 0.79 PIK3CD (1.00) PIK3CD
SCHEMBL788865 0.78 PIK3CD (1.00) PIK3CD
SCHEMBL788353 0.78 PIK3CD (1.00) PIK3CD
SCHEMBL788414 0.78 PIK3CD (1.00) PIK3CD
SCHEMBL788465 0.77 PIK3CD (1.00) PIK3CD
SCHEMBL793927 0.77 PIK3CD (1.00) PIK3CD
SCHEMBL796004 0.75 PIK3CD (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616442-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-07-24 EP disclosed
WO-2012037204-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO disclosed