SCHEMBL17234875

SCHEMBL17234875

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

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.68
PIK3R1 P27986 10/20 0.68
PIK3CB P42338 6/20 0.51
PIK3CG P48736 5/20 0.51
PIK3CA P42336 4/20 0.51

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
SCHEMBL17234907 1.00 PIK3CD (0.68) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL16119396 1.00 PIK3CD (0.68) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17234898 0.93 PIK3CD (0.70) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17234870 0.93 PIK3CD (0.70) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235080 0.93 PIK3CD (0.70) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235478 0.93 PIK3CD (0.64) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235165 0.93 PIK3CD (0.64) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235215 0.93 PIK3CD (0.64) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17234900 0.91 PIK3CD (0.72) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17234862 0.91 PIK3CD (0.72) 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