SCHEMBL754741

SCHEMBL754741

Cc1nc(NCC#N)cc(-c2c(Nc3cc[nH]n3)nc3cccnn23)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.53
MTOR P42345 15/20 0.53
KCNN3 Q9UGI6 2/20 0.32
PDE4B Q07343 3/20 0.32
PDE4A P27815 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 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) PIK3CAMTORPDE4BPDE4APDE4C
SCHEMBL2771543 0.87 PIK3CA (0.69) PIK3CAMTORPDE4BPDE4APDE4C
SCHEMBL754608 0.84 PIK3CA (0.55) PIK3CAMTORPDE4BPDE4APDE4C
SCHEMBL756343 0.84 PIK3CA (0.60) PIK3CAMTOR
SCHEMBL2776327 0.83 PIK3CA (0.71) PIK3CAMTOR
SCHEMBL750520 0.83 PIK3CA (0.67) PIK3CAMTOR
SCHEMBL755161 0.83 MTOR (0.71) PIK3CAMTORPDE4BPDE4D
SCHEMBL2772495 0.83 PIK3CA (0.57) PIK3CAMTOR
SCHEMBL2787760 0.83 PIK3CA (0.54) PIK3CAMTORPDE4BPDE4APDE4C
SCHEMBL2772795 0.82 PIK3CA (0.72) 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 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