SCHEMBL18709018

SCHEMBL18709018

CNc1nc2cc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4-c4ccccc4C)c4ncnc(N)c34)ccc2o1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 16/20 0.65
▸ PIK3CG P48736 7/20 0.64
▸ PIK3CA P42336 6/20 0.58
▸ PIK3CB P42338 6/20 0.58
▸ MTOR P42345 4/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ SRC P12931 1/20 0.58
▸ PRKDC P78527 1/20 0.58
▸ HDAC1 Q13547 2/20 0.46

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
SCHEMBL9884299 0.92 PIK3CD (0.64) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL9884217 0.91 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL18709016 0.91 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL15582705 0.89 PIK3CD (0.66) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL9884315 0.87 PIK3CD (0.63) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL9884295 0.86 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL9884302 0.85 PIK3CG (0.56) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL9884218 0.85 PIK3CD (0.71) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL13781706 0.84 PIK3CG (0.76) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL9924613 0.84 PIK3CG (0.76) PIK3CDPIK3CGPIK3CAPIK3CBMTOR

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
EP-3150609-A1 PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES Intellikine, LLC (US) 2017-04-05 — — EP disclosed
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