SCHEMBL19623679

SCHEMBL19623679

C=C(N)c1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.83
PIK3R1 P27986 1/20 0.55

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
SCHEMBL2376262 0.91 PIK3CA (1.00) PIK3CAPIK3R1
SCHEMBL2378569 0.88 PIK3CA (0.85) PIK3CA
SCHEMBL2376990 0.87 PIK3CA (1.00) PIK3CAPIK3R1
SCHEMBL2378525 0.86 PIK3CA (1.00) PIK3CA
SCHEMBL2377492 0.86 PIK3CA (0.80) PIK3CA
SCHEMBL2377605 0.85 PIK3CA (0.77) PIK3CAPIK3R1
SCHEMBL12247568 0.85 PIK3CA (0.79) PIK3CA
SCHEMBL12247572 0.85 PIK3CA (1.00) PIK3CA
SCHEMBL2376892 0.85 PIK3CA (0.81) PIK3CA
SCHEMBL2376856 0.85 PIK3CA (0.79) 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
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed