SCHEMBL17235367

SCHEMBL17235367

COc1cc(-c2cccc3nc([C@@H](C)Nc4nc(N)ncc4C(=O)NC4CC4)n(-c4ccccc4)c(=O)c23)ccn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.47
PIK3R1 P27986 8/20 0.47
PIK3CB P42338 3/20 0.42
PIK3R2 O00459 1/20 0.42
PIK3CA P42336 4/20 0.41
PIK3CG P48736 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL17235287 1.00 PIK3CD (0.47) PIK3CDPIK3R1PIK3CBPIK3R2PIK3CA
SCHEMBL17234956 1.00 PIK3CD (0.47) PIK3CDPIK3R1PIK3CBPIK3R2PIK3CA
SCHEMBL17235378 0.91 PIK3CD (0.49) PIK3CDPIK3R1PIK3CBPIK3CAPIK3CG
SCHEMBL17235047 0.91 PIK3CD (0.49) PIK3CDPIK3R1PIK3CBPIK3CAPIK3CG
SCHEMBL17235201 0.91 PIK3CD (0.49) PIK3CDPIK3R1PIK3CBPIK3CAPIK3CG
SCHEMBL17234953 0.91 PIK3CD (0.51) PIK3CDPIK3R1PIK3CBPIK3R2PIK3CA
SCHEMBL17235379 0.91 PIK3CD (0.51) PIK3CDPIK3R1PIK3CBPIK3R2PIK3CA
SCHEMBL17235162 0.91 PIK3CD (0.51) PIK3CDPIK3R1PIK3CBPIK3R2PIK3CA
SCHEMBL17235336 0.90 PIK3CD (0.51) PIK3CDPIK3R1PIK3CBPIK3R2PIK3CA
SCHEMBL17235290 0.90 PIK3CD (0.51) PIK3CDPIK3R1PIK3CBPIK3R2PIK3CA

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