SCHEMBL751215

SCHEMBL751215

COc1ccc(Nc2cc(-c3c(Nc4cc[nH]n4)nc4cccnn34)nc(C)n2)nc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.58
MTOR P42345 14/20 0.58
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
PDE10A Q9Y233 1/20 0.32
LYN P07948 1/20 0.32
SRC P12931 1/20 0.32
BTK Q06187 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ULK1 O75385 1/20 0.31

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
SCHEMBL2773798 0.89 PIK3CA (0.61) PIK3CAMTORTP53MAPTPDE4A
SCHEMBL2772161 0.89 PIK3CA (0.59) PIK3CAMTORTP53MAPTTRPV4
SCHEMBL11031708 0.89 PIK3CA (0.56) PIK3CAMTORTP53MAPT
SCHEMBL11025368 0.87 PIK3CA (0.75) PIK3CAMTORTP53MAPT
SCHEMBL2772495 0.87 PIK3CA (0.57) PIK3CAMTOR
SCHEMBL750787 0.85 PIK3CA (0.56) PIK3CAMTOR
SCHEMBL11024686 0.85 PIK3CA (0.72) PIK3CAMTOR
SCHEMBL754608 0.85 PIK3CA (0.55) PIK3CAMTORPDE4APDE4BPDE4C
SCHEMBL2776327 0.84 PIK3CA (0.71) PIK3CAMTOR
SCHEMBL2771543 0.84 PIK3CA (0.69) PIK3CAMTORPDE4APDE4BPDE4C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed