SCHEMBL17235359

SCHEMBL17235359

COc1cc(-c2cccc3nc([C@@H](C)Nc4nc(N)ncc4C(=O)N4CC(F)(F)C4)n(-c4ccccc4)c(=O)c23)ccn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.47
PIK3R1 P27986 7/20 0.47
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.41
PIK3CA P42336 2/20 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
SCHEMBL17234957 1.00 PIK3CD (0.47) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235299 1.00 PIK3CD (0.47) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235387 0.93 PIK3CD (0.49) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17234955 0.93 PIK3CD (0.49) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235195 0.93 PIK3CD (0.49) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235069 0.92 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235280 0.92 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235498 0.92 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235379 0.91 PIK3CD (0.51) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235162 0.91 PIK3CD (0.51) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA

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