SCHEMBL17235152

SCHEMBL17235152

C[C@@H](Nc1nc(N)ncc1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.86
PIK3R1 P27986 15/20 0.86
PIK3CB P42338 7/20 0.64
PIK3CG P48736 7/20 0.64
PIK3CA P42336 6/20 0.64

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
SCHEMBL17235071 1.00 PIK3CD (0.86) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235410 1.00 PIK3CD (0.86) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235632 0.93 PIK3CD (0.89) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235643 0.93 PIK3CD (0.82) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235320 0.93 PIK3CD (0.82) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235122 0.93 PIK3CD (0.82) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235627 0.93 PIK3CD (0.87) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235633 0.93 PIK3CD (0.87) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL14718407 0.93 PIK3CD (1.00) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL14718408 0.93 PIK3CD (1.00) 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