SCHEMBL18923813

SCHEMBL18923813

Cc1cn2c(n1)-c1cnc(Cl)cc1OCC2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.47
PIK3CD O00329 2/20 0.38
MAP3K14 Q99558 5/20 0.38

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
SCHEMBL19594444 0.89 PIK3CA (0.42) PIK3CAPIK3CDMAP3K14
SCHEMBL1485581 0.85 PIK3CA (0.43) PIK3CAPIK3CDMAP3K14
SCHEMBL1485623 0.82 PIK3CA (0.41) PIK3CAPIK3CDMAP3K14
SCHEMBL1485171 0.80 MAP3K14 (0.57) PIK3CDMAP3K14
SCHEMBL12539370 0.78 PIK3CA (0.45) PIK3CAPIK3CDMAP3K14
SCHEMBL1528222 0.78 PIK3CA (0.78) PIK3CAPIK3CD
SCHEMBL1485533 0.78 PIK3CA (0.55) PIK3CAPIK3CD
SCHEMBL1485285 0.78 PIK3CA (0.45) PIK3CAPIK3CDMAP3K14
SCHEMBL12688777 0.78 PIK3CA (0.56) PIK3CAPIK3CD
SCHEMBL12689287 0.78 PIK3CD (0.51) PIK3CAPIK3CD

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
US-9670228-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-06-06 US disclosed