SCHEMBL21028987

SCHEMBL21028987

Cc1ncnc2c1c(Cl)nn2Cc1nc2scc(C)c2c(=O)n1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.44
PIK3CG P48736 8/20 0.43
PIK3CB P42338 7/20 0.42
PIK3CA P42336 6/20 0.42
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
MTOR P42345 1/20 0.39
PRKDC P78527 1/20 0.39
PIK3R1 P27986 1/20 0.35

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
SCHEMBL12895082 0.92 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL12895072 0.84 PIK3CD (0.54) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL21028679 0.83 PIK3CD (0.58) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL12895083 0.83 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL12895081 0.83 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL12895118 0.82 PIK3CD (0.45) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL12921930 0.82 PIK3CD (0.50) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL12895104 0.81 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL12895091 0.80 PIK3CD (0.65) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL12895070 0.80 PIK3CD (0.56) PIK3CDPIK3CGPIK3CBPIK3CAABL1

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