SCHEMBL19623643

SCHEMBL19623643

Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(CCC(O)N3CCNCC3)cc2)cn1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.66
PIK3R1 P27986 11/20 0.56
PIK3CD O00329 1/20 0.50
PIK3CB P42338 1/20 0.50

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
SCHEMBL2377672 0.86 PIK3CA (0.74) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2376198 0.84 PIK3CA (0.66) PIK3CAPIK3R1
SCHEMBL2378651 0.83 PIK3CA (0.69) PIK3CAPIK3R1
SCHEMBL2376686 0.80 PIK3CA (1.00) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2378373 0.79 PIK3CA (0.81) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL19623483 0.79 PIK3CA (0.68) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL19623747 0.79 PIK3CA (0.84) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2376513 0.78 PIK3CA (0.66) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2378969 0.78 PIK3CA (0.83) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL19623448 0.77 PIK3CA (0.80) 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