SCHEMBL17235474

SCHEMBL17235474

C[C@@H](Nc1nc(N)ncc1C#N)c1nc2cccc(-c3cncc(NS(C)(=O)=O)c3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.67
PIK3R1 P27986 9/20 0.67
PIK3CB P42338 6/20 0.50
PIK3CG P48736 5/20 0.50
PIK3CA P42336 4/20 0.50

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
SCHEMBL17235479 1.00 PIK3CD (0.67) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235213 1.00 PIK3CD (0.67) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235061 0.93 PIK3CD (0.68) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235170 0.93 PIK3CD (0.70) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235116 0.93 PIK3CD (0.70) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235168 0.93 PIK3CD (0.70) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235253 0.91 PIK3CD (0.68) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235475 0.91 PIK3CD (0.68) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235284 0.91 PIK3CD (0.68) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL16119389 0.89 PIK3CD (0.71) 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