SCHEMBL6892786

SCHEMBL6892786

C=C(N)/C=C\C(=C/N)c1c(CC)ncnc1-c1ccc(C(=O)N2CCN(C(=O)OCC)CC2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.58
MTOR P42345 20/20 0.58

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
SCHEMBL6894234 0.90 PIK3CA (0.57) PIK3CAMTOR
SCHEMBL6893449 0.82 PIK3CA (0.58) PIK3CAMTOR
SCHEMBL6894795 0.81 PIK3CA (0.59) PIK3CAMTOR
SCHEMBL6893357 0.81 PIK3CA (0.56) PIK3CAMTOR
SCHEMBL6894270 0.80 PIK3CA (0.59) PIK3CAMTOR
SCHEMBL6892573 0.78 MTOR (0.59) PIK3CAMTOR
SCHEMBL6894283 0.78 PIK3CA (0.59) PIK3CAMTOR
SCHEMBL6891826 0.78 PIK3CA (0.59) PIK3CAMTOR
SCHEMBL6894081 0.77 PIK3CA (0.62) PIK3CAMTOR
SCHEMBL10158139 0.76 PIK3CA (0.76) 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-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed