SCHEMBL17235571

SCHEMBL17235571

C[C@H](Nc1nc(N)ncc1-c1cncs1)c1nc2cccc(-c3ccc(=O)n(C)c3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.51
PIK3R1 P27986 12/20 0.51
PIK3CB P42338 5/20 0.45
PIK3CG P48736 5/20 0.45
PIK3CA P42336 4/20 0.45

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
SCHEMBL17235351 1.00 PIK3CD (0.51) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235438 1.00 PIK3CD (0.51) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235237 0.89 PIK3CD (0.50) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235547 0.89 PIK3CD (0.50) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL14726712 0.88 PIK3CG (0.47) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235352 0.88 PIK3CD (0.52) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235582 0.88 PIK3CD (0.52) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235431 0.88 PIK3CD (0.52) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235239 0.86 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL17235583 0.86 PIK3CD (0.48) 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