SCHEMBL5019562

SCHEMBL5019562

CCC1COCCN1C(=O)c1nc([C@H](C)Nc2ncnc3[nH]cnc23)cc2cccc(-c3cnn(C)c3)c12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.39
GRM2 Q14416 2/20 0.35
LRRK2 Q5S007 5/20 0.34
PDPK1 O15530 2/20 0.34
RPS6KB1 P23443 2/20 0.34
PIK3CD O00329 4/20 0.34
NFE2L2 Q16236 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
IRAK1 P51617 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL4569434 0.87 PIK3CG (0.41) PIK3CGLRRK2PDPK1RPS6KB1PIK3CD
SCHEMBL4569449 0.84 PIK3CG (0.45) PIK3CGLRRK2PDPK1RPS6KB1PIK3CD
SCHEMBL4569409 0.80 IRAK4 (0.41) PIK3CGLRRK2PDPK1PIK3CDIRAK1
SCHEMBL4569421 0.78 PIK3CG (0.44) PIK3CGLRRK2PDPK1RPS6KB1PIK3CD
SCHEMBL4569441 0.78 PIK3CG (0.42) PIK3CGLRRK2PDPK1RPS6KB1PIK3CD
SCHEMBL17913949 0.77 SOS1 (0.39) PIK3CGPDPK1RPS6KB1PIK3CDPIK3R1
SCHEMBL4569395 0.77 LRRK2 (0.41) PIK3CGLRRK2PDPK1RPS6KB1PIK3CD
SCHEMBL4569435 0.75 PIK3CG (0.39) PIK3CGPDPK1RPS6KB1PIK3CDPIK3CA
SCHEMBL4569404 0.74 PIK3CG (0.38) PIK3CGLRRK2PDPK1RPS6KB1PIK3CD
SCHEMBL4569398 0.74 MEN1 (0.39) PIK3R1PIK3CA

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-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed