SCHEMBL788422

SCHEMBL788422

Cc1ccccc1-c1cc2ccccc2nc1CCNC(=O)c1nccnc1N

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.81

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
SCHEMBL788892 0.90 PIK3CD (1.00) PIK3CD
SCHEMBL788807 0.81 PIK3CD (1.00) PIK3CD
SCHEMBL15471428 0.78 PIK3CD (0.82) PIK3CD
SCHEMBL788739 0.78 PIK3CD (1.00) PIK3CD
SCHEMBL788421 0.77 PIK3CD (1.00) PIK3CD
SCHEMBL788524 0.77 PIK3CD (1.00) PIK3CD
SCHEMBL788960 0.76 PIK3CD (1.00) PIK3CD
SCHEMBL788490 0.76 PIK3CD (0.78) PIK3CD
SCHEMBL788352 0.73 PIK3CD (1.00) PIK3CD
SCHEMBL788527 0.73 PIK3CD (0.80) 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 claimed
WO-2012037204-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO claimed