SCHEMBL14728405

SCHEMBL14728405

C=C/C=C(\C=C/N)c1cc(OC)n2nc(C)c(Cc3cccc(Cl)c3Cl)c2n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
PIK3CG P48736 3/20 0.35
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL14728249 0.90 CCR2 (0.32) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14728375 0.77 PIK3CB (0.38) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14728568 0.77 USP2 (0.33) PIK3CDPIK3CB
SCHEMBL14728601 0.75 PIK3CB (0.34) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14728328 0.75 PIK3CB (0.55) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14720221 0.74 PIK3CB (0.58) PIK3CDPIK3CAPIK3CBPIK3CGRXFP1
SCHEMBL14728235 0.73 ADCY10 (0.31)
SCHEMBL14728428 0.72 ROCK2 (0.30)
SCHEMBL14720444 0.66 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGRXFP1
SCHEMBL14720301 0.65 PIK3CB (0.53) PIK3CDPIK3CAPIK3CBPIK3CG

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-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed