SCHEMBL19623253

SCHEMBL19623253

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccc(N=O)cc3)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.55
PIK3R1 P27986 4/20 0.46

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
SCHEMBL2379113 0.91 PIK3CA (0.60) PIK3CAPIK3R1
SCHEMBL2377050 0.90 PIK3CA (0.69) PIK3CAPIK3R1
SCHEMBL2375230 0.90 PIK3CA (0.63) PIK3CAPIK3R1
SCHEMBL2378443 0.89 PIK3CA (0.55) PIK3CAPIK3R1
SCHEMBL2379287 0.89 PIK3CA (0.64) PIK3CAPIK3R1
SCHEMBL2378281 0.89 PIK3CA (0.56) PIK3CAPIK3R1
SCHEMBL2377678 0.88 PIK3CA (0.56) PIK3CAPIK3R1
SCHEMBL2379413 0.88 PIK3CA (0.64) PIK3CAPIK3R1
SCHEMBL2378487 0.88 PIK3CA (0.55) PIK3CAPIK3R1
SCHEMBL2378717 0.88 PIK3CA (0.54) PIK3CAPIK3R1

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