SCHEMBL13257528

SCHEMBL13257528

Nc1cccc(-c2nc(N3CCOCC3)nc3c(Cl)cc(C(=O)O)nc23)c1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.81

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
SCHEMBL13257323 0.90 PIK3CA (1.00) PIK3CA
SCHEMBL13257334 0.89 PIK3CA (1.00) PIK3CA
SCHEMBL13257350 0.89 PIK3CA (0.68) PIK3CA
SCHEMBL13258327 0.87 PIK3CA (0.78) PIK3CA
SCHEMBL13257542 0.86 PIK3CA (0.77) PIK3CA
SCHEMBL13257327 0.86 PIK3CA (1.00) PIK3CA
SCHEMBL16500525 0.86 PIK3CA (0.77) PIK3CA
SCHEMBL13257510 0.84 PIK3CA (0.84) PIK3CA
SCHEMBL13257364 0.83 PIK3CA (0.79) PIK3CA
SCHEMBL13258255 0.82 PIK3CA (0.77) PIK3CA

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-2010091996-A1 2-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed