SCHEMBL17235147

SCHEMBL17235147

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.46
PIK3R1 P27986 7/20 0.46
PIK3CB P42338 3/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CG P48736 3/20 0.42
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
SCHEMBL17235383 1.00 PIK3CD (0.46) PIK3CDPIK3R1PIK3CBPIK3CAPIK3CG
SCHEMBL17235064 1.00 PIK3CD (0.46) PIK3CDPIK3R1PIK3CBPIK3CAPIK3CG
SCHEMBL17235234 0.94 PIK3CD (0.47) PIK3CDPIK3R1PIK3CBPIK3CAPIK3CG
SCHEMBL17235054 0.94 PIK3CD (0.47) PIK3CDPIK3R1PIK3CBPIK3CAPIK3CG
SCHEMBL17235494 0.94 PIK3CD (0.47) PIK3CDPIK3R1PIK3CBPIK3CAPIK3CG
SCHEMBL17235045 0.93 PIK3CD (0.49) PIK3CDPIK3R1PIK3CBPIK3CAPIK3CG
SCHEMBL17235382 0.93 PIK3CD (0.49) PIK3CDPIK3R1PIK3CBPIK3CAPIK3CG
SCHEMBL17235205 0.93 PIK3CD (0.49) PIK3CDPIK3R1PIK3CBPIK3CAPIK3CG
SCHEMBL17235298 0.92 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CAPIK3CG
SCHEMBL17235333 0.92 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CAPIK3CG

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