SCHEMBL753784

SCHEMBL753784

COC(=O)c1ccc(NC(=O)n2ccc(Nc3nc4ccccn4c3-c3cc(N)nc(C)n3)n2)cc1.Cc1nc(N)cc(-c2c(Nc3ccn(C(=O)NCc4ccccc4)n3)nc3ccccn23)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.47
MTOR P42345 11/20 0.47
KDM4E B2RXH2 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 2/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
ABL1 P00519 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
PDGFRA P16234 1/20 0.34
PRKACA P17612 1/20 0.34
LTK P29376 1/20 0.34
GRK5 P34947 1/20 0.34
KDR P35968 1/20 0.34
MAPK8 P45983 1/20 0.34

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
SCHEMBL11029448 0.93 MTOR (0.53) PIK3CAMTORKDM4EDAPK3JAK2
SCHEMBL11027565 0.90 MTOR (0.53) PIK3CAMTORKDM4E
SCHEMBL16161710 0.87 MTOR (0.54) PIK3CAMTOR
SCHEMBL11031097 0.86 MTOR (0.58) PIK3CAMTOR
SCHEMBL11031207 0.85 MTOR (0.53) PIK3CAMTORMAPT
SCHEMBL16161620 0.82 MTOR (0.52) PIK3CAMTOR
SCHEMBL11029456 0.82 MTOR (0.58) PIK3CAMTORKDM4EDAPK3JAK2
SCHEMBL11026350 0.79 MTOR (0.58) PIK3CAMTORDAPK3JAK2PRKD3
SCHEMBL11030435 0.79 MTOR (0.53) PIK3CAMTORKDM4EMAPTDAPK3
SCHEMBL16161680 0.79 MTOR (0.60) PIK3CAMTOR

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-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed