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Sugi Predict / Compounds / SCHEMBL755436

SCHEMBL755436

SCHEMBL755436

COCCOc1cc(Nc2cc(-c3c(Nc4cc[nH]n4)nc4cccnn34)nc(C)n2)ncn1.Cc1nc(N)cc(-c2c(Nc3cccc(NC(=O)NC4CC4)c3)nc3cccnn23)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 10/20 0.39
▸ MTOR P42345 10/20 0.39
▸ PDE4B Q07343 7/20 0.32
▸ PDE4A P27815 6/20 0.32
▸ PDE4C Q08493 6/20 0.32
▸ PDE4D Q08499 6/20 0.32
▸ MAPKAPK2 P49137 1/20 0.31
▸ EGFR P00533 2/20 0.30
▸ BTK Q06187 1/20 0.30

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
SCHEMBL11024678 0.83 PIK3CA (0.48) PIK3CAMTORMAPKAPK2
SCHEMBL11029462 0.81 PIK3CA (0.54) PIK3CAMTORPDE4BPDE4APDE4C
SCHEMBL11029184 0.75 PIK3CA (0.56) PIK3CAMTORPDE4BPDE4APDE4C
SCHEMBL11028902 0.75 PIK3CA (0.51) PIK3CAMTORMAPKAPK2
SCHEMBL754837 0.73 PIK3CA (0.39) PIK3CAMTORPDE4BPDE4APDE4C
SCHEMBL750520 0.73 PIK3CA (0.67) PIK3CAMTOR
SCHEMBL2773798 0.71 PIK3CA (0.61) PIK3CAMTORPDE4BPDE4APDE4C
SCHEMBL753661 0.71 PIK3CA (0.58) PIK3CAMTORPDE4BPDE4APDE4C
SCHEMBL750322 0.71 PIK3CA (0.64) PIK3CAMTORMAPKAPK2
SCHEMBL2790651 0.70 PIK3CA (0.42) 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 2 patents. 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
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 — — WO claimed