SCHEMBL21028730

SCHEMBL21028730

C#Cc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2CC)c2ncnc(N)c12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.59
PIK3CD O00329 18/20 0.59
PIK3CB P42338 5/20 0.54
PIK3CA P42336 4/20 0.54
ABL1 P00519 1/20 0.46
SRC P12931 1/20 0.46
MTOR P42345 1/20 0.46
PRKDC P78527 1/20 0.46
PIK3R1 P27986 2/20 0.41

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
SCHEMBL18708922 0.90 PIK3CD (0.58) PIK3CGPIK3CDPIK3CBPIK3CAABL1
SCHEMBL18879379 0.90 PIK3CG (0.64) PIK3CGPIK3CDPIK3CBPIK3CAABL1
SCHEMBL9884166 0.88 PIK3CD (0.56) PIK3CGPIK3CDPIK3CBPIK3CAABL1
SCHEMBL9884142 0.87 PIK3CG (0.62) PIK3CGPIK3CDPIK3CBPIK3CAABL1
SCHEMBL9885146 0.86 PIK3CD (0.65) PIK3CGPIK3CDPIK3CBPIK3CAABL1
SCHEMBL17807065 0.85 PIK3CD (0.64) PIK3CGPIK3CDPIK3CBPIK3CAABL1
SCHEMBL9884075 0.85 PIK3CD (0.75) PIK3CGPIK3CDPIK3CBPIK3CAABL1
SCHEMBL23287712 0.84 PIK3CG (0.60) PIK3CGPIK3CDPIK3CBPIK3CAABL1
SCHEMBL9884341 0.84 PIK3CD (0.67) PIK3CGPIK3CDPIK3CBPIK3CAABL1
SCHEMBL9884999 0.84 PIK3CG (0.70) PIK3CGPIK3CDPIK3CBPIK3CAABL1

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-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 EP disclosed