SCHEMBL7890147

SCHEMBL7890147

CNc1cc(-c2c(Nc3cc[nH]n3)nc3c(F)cccn23)nc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.39
MTOR P42345 8/20 0.39
SHMT2 P34897 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
SCHEMBL756037 0.88 PIK3CA (0.46) PIK3CAMTOR
SCHEMBL751578 0.88 MTOR (0.53) PIK3CAMTOR
SCHEMBL11028514 0.84 PIK3CA (0.37) PIK3CAMTOR
SCHEMBL755430 0.80 PIK3CA (0.41) PIK3CAMTOR
SCHEMBL2771543 0.75 PIK3CA (0.69) PIK3CAMTORSHMT2
SCHEMBL752556 0.72 MTOR (0.72) PIK3CAMTOR
SCHEMBL749520 0.72 PIK3CA (0.52) PIK3CAMTORSHMT2
SCHEMBL765755 0.71 PIK3CA (0.66) PIK3CAMTOR
SCHEMBL753664 0.71 MTOR (0.74) PIK3CAMTOR
SCHEMBL11032319 0.71 MTOR (0.58) 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
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO disclosed