SCHEMBL19594444

SCHEMBL19594444

Cc1cn2c(n1)-c1cc(Cl)ncc1OCC2

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.42
PIK3CD O00329 9/20 0.40
MAP3K14 Q99558 3/20 0.35
PIK3R1 P27986 1/20 0.35

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
SCHEMBL18923813 0.89 PIK3CA (0.47) PIK3CAPIK3CDMAP3K14
SCHEMBL1485431 0.85 PIK3CA (0.39) PIK3CAPIK3CDMAP3K14
SCHEMBL1485001 0.80 MAP3K14 (0.54) PIK3CDMAP3K14PIK3R1
SCHEMBL1485327 0.79 PIK3CA (0.70) PIK3CAPIK3CD
SCHEMBL12539295 0.78 PIK3CD (0.66) PIK3CAPIK3CD
SCHEMBL1485522 0.78 ALPL (0.39) PIK3CAPIK3CD
SCHEMBL12690129 0.77 MAP3K14 (0.44) PIK3CDMAP3K14PIK3R1
SCHEMBL1528156 0.76 PIK3CA (0.43) PIK3CAPIK3CD
SCHEMBL19594580 0.76 PIK3CA (0.42) PIK3CAPIK3CDMAP3K14PIK3R1
SCHEMBL1485528 0.75 MAP3K14 (0.40) PIK3CDMAP3K14PIK3R1

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-2688891-B1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed