SCHEMBL798198

SCHEMBL798198

CCC1CC(N(C)c2nc3c(C)cccc3cc2CNC(=O)c2nccnc2N)CCN1CC

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
SCHEMBL788494 0.88 PIK3CD (1.00) PIK3CD
SCHEMBL788859 0.86 PIK3CD (1.00) PIK3CD
SCHEMBL788680 0.79 PIK3CD (1.00) PIK3CD
SCHEMBL789090 0.79 PIK3CD (0.72) PIK3CD
SCHEMBL788384 0.79 PIK3CD (0.80) PIK3CD
SCHEMBL798465 0.77 PIK3CD (0.75) PIK3CD
SCHEMBL15464196 0.77 PIK3CD (0.86) PIK3CD
SCHEMBL788306 0.77 PIK3CD (0.86) PIK3CD
SCHEMBL788803 0.77 PIK3CD (1.00) PIK3CD
SCHEMBL789044 0.76 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