SCHEMBL4558807

SCHEMBL4558807

CCCS(=O)(=O)Nc1cc(-c2cc(NC(=O)c3csc(CN4CC(C)OC(C)C4)n3)c3cn[nH]c3c2)cnc1OC

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.58
PIK3CA P42336 12/20 0.53
PIK3CB P42338 10/20 0.53
PIK3CG P48736 10/20 0.53
PIK3R2 O00459 1/20 0.53
PIK3R1 P27986 10/20 0.44
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
BRAF P15056 1/20 0.36

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
SCHEMBL1771355 1.00 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
Trifluoroacetic Acid SCHEMBL17491763 0.96 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1772490 0.95 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL13578017 0.93 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1771621 0.93 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1771330 0.93 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1771530 0.92 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
Trifluoroacetic Acid SCHEMBL1771419 0.91 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL462411 0.91 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL462412 0.91 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2

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-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed