SCHEMBL2599609

SCHEMBL2599609

C[C@@H]1COCCN1c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 17/20 0.48
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
ATR Q13535 1/20 0.42
MTOR P42345 1/20 0.41

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
SCHEMBL2599663 1.00 PIK3C3 (0.48) PIK3C3PIK3CDPIK3CAATRMTOR
SCHEMBL2599611 1.00 PIK3C3 (0.48) PIK3C3PIK3CDPIK3CAATRMTOR
SCHEMBL24269719 0.84 PIK3C3 (0.56) PIK3C3
SCHEMBL26685798 0.84 PIK3C3 (0.56) PIK3C3
SCHEMBL16388496 0.82 PIK3C3 (0.48) PIK3C3PIK3CDPIK3CAATR
SCHEMBL14087877 0.82 PIK3C3 (0.48) PIK3C3PIK3CAMTOR
SCHEMBL14087747 0.82 PIK3C3 (0.48) PIK3C3PIK3CAMTOR
SCHEMBL16388748 0.82 PIK3C3 (0.48) PIK3C3PIK3CDPIK3CAATR
SCHEMBL19863417 0.81 PIK3C3 (0.49) PIK3C3
SCHEMBL16611301 0.81 PIK3C3 (0.49) PIK3C3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571872-B1 COMPOUNDS TREHERNE JOHNATHAN MARK (GB) 2014-12-31 EP disclosed
EP-2571872-B1 COMPOUNDS TREHERNE JOHNATHAN MARK (GB) 2014-12-31 EP disclosed
EP-2571872-A1 COMPOUNDS BTG International Limited (GB) 2013-03-27 EP disclosed
WO-2011144578-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed
WO-2011144578-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed