SCHEMBL19623541

SCHEMBL19623541

O=Nc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3C(=O)Nc2ccc(F)cc2F)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.55
PIK3R1 P27986 8/20 0.55
PIK3CB P42338 1/20 0.49
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL2377307 0.90 PIK3CA (0.57) PIK3CAPIK3R1PIK3CBMTORPIK3CG
SCHEMBL19623538 0.82 PIK3CA (0.59) PIK3CAPIK3R1PIK3CB
SCHEMBL19623562 0.78 PIK3CA (0.51) PIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL2377712 0.77 PIK3CA (0.59) PIK3CAPIK3R1PIK3CBMTOR
SCHEMBL2377157 0.75 PIK3CA (0.76) PIK3CAPIK3R1PIK3CBMTORPIK3CG
SCHEMBL19623564 0.75 PIK3CA (0.47) PIK3CAPIK3R1
SCHEMBL2376634 0.75 PIK3CA (0.73) PIK3CAPIK3R1PIK3CB
SCHEMBL2377364 0.73 PIK3CA (0.63) PIK3CAPIK3R1PIK3CBMTORPIK3CG
SCHEMBL2378462 0.73 PIK3CA (0.60) PIK3CAPIK3R1PIK3CB
SCHEMBL2376551 0.72 PIK3CA (0.82) PIK3CAPIK3R1PIK3CBMTORPIK3CG

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