SCHEMBL19623558

SCHEMBL19623558

Cc1cc(C(=O)N2CC(C)OC(C)C2)ccc1N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.69
PIK3R1 P27986 12/20 0.59
PIK3CD O00329 1/20 0.53
PIK3CB P42338 1/20 0.53

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
SCHEMBL2376868 1.00 PIK3CA (0.69) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2376216 0.91 PIK3CA (0.82) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2377562 0.90 PIK3CA (0.77) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2377247 0.89 PIK3CA (0.76) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2377414 0.89 PIK3CA (0.76) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2378848 0.88 PIK3CA (0.79) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2376877 0.86 PIK3CA (0.76) PIK3CAPIK3R1PIK3CB
SCHEMBL2376931 0.86 PIK3CA (0.81) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2378096 0.85 PIK3CA (0.71) PIK3CAPIK3R1
SCHEMBL2376250 0.85 PIK3CA (0.51) PIK3CAPIK3R1PIK3CDPIK3CB

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