SCHEMBL2599581

SCHEMBL2599581

CC1COCCN1c1cccc(OBOc2cccc(N3CCOCC3C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 18/20 0.45
MTOR P42345 1/20 0.42
ATR Q13535 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
SCHEMBL2599611 0.78 PIK3C3 (0.48) PIK3C3MTORATR
SCHEMBL14087877 0.78 PIK3C3 (0.48) PIK3C3MTOR
SCHEMBL14087747 0.78 PIK3C3 (0.48) PIK3C3MTOR
SCHEMBL2599663 0.78 PIK3C3 (0.48) PIK3C3MTORATR
SCHEMBL16388748 0.78 PIK3C3 (0.48) PIK3C3ATR
SCHEMBL16388496 0.78 PIK3C3 (0.48) PIK3C3ATR
SCHEMBL2599609 0.78 PIK3C3 (0.48) PIK3C3MTORATR
SCHEMBL2599602 0.77 PIK3C3 (0.43) PIK3C3MTORATR
SCHEMBL2599601 0.77 PIK3C3 (0.43) PIK3C3MTORATR
SCHEMBL2599606 0.77 PIK3C3 (0.43) PIK3C3MTORATR

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-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