SCHEMBL3410068

SCHEMBL3410068

C=C/C=C(\C)c1nc2cc(F)cc(F)c2c(Nc2cc(N3CCOCC3)ncc2-c2ccc(OC)nc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.42
PIK3CA P42336 6/20 0.35
ATR Q13535 1/20 0.35
PDE10A Q9Y233 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
CNR2 P34972 1/20 0.34
LRRK2 Q5S007 1/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
MTOR P42345 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
PI4KA P42356 1/20 0.32
AOC3 Q16853 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
CDK7 P50613 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
SCHEMBL247661 0.84 PIK3CD (0.49) PIK3CDPIK3CAATRPDE10AJAK2
SCHEMBL248533 0.82 PIK3CD (0.54) PIK3CDPIK3CAATRJAK2JAK3
SCHEMBL14849149 0.82 PIK3CD (0.47) PIK3CDPIK3CAATRPDE10AJAK2
SCHEMBL249119 0.82 PIK3CD (0.52) PIK3CDPIK3CAATRPDE10AJAK2
SCHEMBL247235 0.82 PIK3CD (0.64) PIK3CDPIK3CAATRLRRK2PIK3CB
SCHEMBL245470 0.82 PIK3CD (0.47) PIK3CDPIK3CAATRPDE10AJAK2
SCHEMBL248178 0.82 PIK3CD (0.53) PIK3CDPIK3CAATRPDE10AJAK2
SCHEMBL247477 0.81 PIK3CA (0.47) PIK3CDPIK3CAATRJAK2JAK3
SCHEMBL246549 0.80 PIK3CA (0.47) PIK3CDPIK3CAATRJAK2JAK3
SCHEMBL246154 0.80 PIK3CA (0.49) PIK3CDPIK3CAATRJAK2JAK3

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-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed