SCHEMBL19594767

SCHEMBL19594767

C/C(N)=N/C(=O)c1cn2c(n1)-c1cc(Br)c(OCc3ccccc3)cc1OCC2

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 20/20 0.41
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40

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
SCHEMBL12690294 0.82 MAP3K14 (0.47) MAP3K14PIK3CDPIK3R1
SCHEMBL12690421 0.81 MAP3K14 (0.53) MAP3K14
SCHEMBL12539558 0.80 HTR2A (0.38) PIK3CD
SCHEMBL12539358 0.73 PIK3CD (0.58) PIK3CD
SCHEMBL15192690 0.70 MAP3K14 (0.59) MAP3K14PIK3CDPIK3R1
SCHEMBL15192368 0.69 MAP3K14 (0.63) MAP3K14
SCHEMBL16029438 0.68 PIK3CA (0.41) MAP3K14PIK3CDPIK3R1
SCHEMBL19594278 0.67 PIK3CD (0.38) MAP3K14PIK3CDPIK3R1
SCHEMBL15194210 0.67 MAP3K14 (0.56) MAP3K14PIK3CDPIK3R1
SCHEMBL12693530 0.67 PIK3CA (0.40) MAP3K14PIK3CD

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