SCHEMBL2729435

SCHEMBL2729435

COC(=O)N1CCN(c2nc3cc(F)cc(F)c3c(Cl)c2C)CC1.COC(=O)N1CCN(c2nc3cc(F)cc(F)c3c(Nc3cc(N4CCOCC4)cnc3N3CCOCC3)c2C)CC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.60
PIK3CD O00329 1/20 0.48

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
SCHEMBL2711544 0.95 PIK3CA (0.64) PIK3CAPIK3CD
SCHEMBL2713620 0.89 PIK3CA (0.64) PIK3CAPIK3CD
SCHEMBL2712470 0.89 PIK3CA (0.55) PIK3CAPIK3CD
SCHEMBL2712503 0.84 PIK3CD (0.53) PIK3CAPIK3CD
SCHEMBL2712876 0.84 PIK3CA (0.59) PIK3CAPIK3CD
SCHEMBL2713564 0.83 PIK3CD (0.54) PIK3CAPIK3CD
SCHEMBL2712643 0.83 PIK3CA (0.58) PIK3CAPIK3CD
SCHEMBL2728526 0.82 PIK3CA (0.56) PIK3CAPIK3CD
SCHEMBL2124095 0.82 PIK3CA (0.52) PIK3CA
SCHEMBL2712618 0.81 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed