SCHEMBL19623737

SCHEMBL19623737

CCCN(CCNC(=O)c1ccc(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)cc1)c1ncccn1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.59
PIK3R1 P27986 7/20 0.54

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
SCHEMBL2377973 0.90 PIK3CA (0.66) PIK3CAPIK3R1
SCHEMBL2377599 0.87 PIK3CA (0.64) PIK3CAPIK3R1
SCHEMBL2376289 0.84 PIK3CA (0.68) PIK3CAPIK3R1
SCHEMBL19611174 0.83 PIK3CA (0.65) PIK3CAPIK3R1
SCHEMBL2378137 0.83 PIK3CA (0.68) PIK3CAPIK3R1
SCHEMBL2377658 0.83 PIK3CA (0.66) PIK3CAPIK3R1
SCHEMBL2376791 0.82 PIK3CA (0.64) PIK3CAPIK3R1
SCHEMBL2376307 0.82 PIK3CA (0.66) PIK3CAPIK3R1
SCHEMBL19611162 0.81 PIK3CA (0.67) PIK3CAPIK3R1
SCHEMBL2376663 0.81 PIK3CA (0.62) 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