SCHEMBL17234992

SCHEMBL17234992

COc1ccnc(-c2cccc3cc([C@@H](C)Nc4nc(N)ncc4C#N)n(-c4ccccc4)c(=O)c23)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.54
PIK3R1 P27986 7/20 0.54
PIK3CG P48736 15/20 0.45
PIK3CB P42338 7/20 0.45
PIK3CA P42336 7/20 0.41
PIK3R2 O00459 1/20 0.39

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
SCHEMBL14730067 1.00 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL17234921 1.00 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL14730096 0.91 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL14729974 0.90 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL14729766 0.90 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL17234978 0.89 PIK3CD (0.56) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL17234919 0.89 PIK3CD (0.56) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL14730076 0.89 PIK3CD (0.56) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL14729985 0.89 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL14730089 0.89 PIK3CD (0.54) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA

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
WO-2015168079-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS PI3K INHIBITORS INFINITY PHARMACEUTICALS, INC. (US) 2015-11-05 WO disclosed