SCHEMBL14728548

SCHEMBL14728548

C=C/C=C(\C=C/N)c1cc(O)n2ncc(Cc3cccc(C)c3C)c2n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.32
PIK3CD O00329 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL14721568 0.72 PIK3CB (0.42) PIK3CBPIK3CDMTORPIK3CG
SCHEMBL14728249 0.72 CCR2 (0.32) PIK3CBPIK3CDPIK3CG
SCHEMBL14728443 0.67 USP2 (0.30)
SCHEMBL14728601 0.66 PIK3CB (0.34) PIK3CBPIK3CDPIK3CG
SCHEMBL14728428 0.65 ROCK2 (0.30)
SCHEMBL14728544 0.64 PIK3CB (0.56) PIK3CBPIK3CDMTORPIK3CG
SCHEMBL10263400 0.59 CYP2A6 (0.42)
SCHEMBL15762046 0.58 MAOA (0.37)
SCHEMBL3306785 0.58 ESR1 (0.47)
SCHEMBL16994800 0.56 PARP1 (0.43)

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