SCHEMBL798778

SCHEMBL798778

CCc1cccc2cc(Cn3cnc4c(N)ncnc43)c(NC3CCN(C)CC3)nc12

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.83

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
SCHEMBL788637 0.91 PIK3CD (1.00) PIK3CD
SCHEMBL788800 0.80 PIK3CD (1.00) PIK3CD
SCHEMBL788673 0.73 PIK3CD (0.68) PIK3CD
SCHEMBL788788 0.71 PIK3CD (1.00) PIK3CD
SCHEMBL788465 0.71 PIK3CD (1.00) PIK3CD
SCHEMBL18923876 0.70 PIK3CD (0.63) PIK3CD
SCHEMBL682357 0.69 PIK3CD (0.76) PIK3CD
SCHEMBL788217 0.69 PIK3CD (1.00) PIK3CD
SCHEMBL788238 0.69 PIK3CD (1.00) PIK3CD
SCHEMBL31733002 0.68 SCN9A (0.47) 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