SCHEMBL2599602

SCHEMBL2599602

CC1COCCN1c1cccc(Oc2cnc(Cl)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 14/20 0.43
ATR Q13535 1/20 0.42
MTOR P42345 4/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 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
SCHEMBL2599601 1.00 PIK3C3 (0.43) PIK3C3ATRMTORPIK3CDPIK3CA
SCHEMBL2599606 1.00 PIK3C3 (0.43) PIK3C3ATRMTORPIK3CDPIK3CA
SCHEMBL2597597 0.80 DHFR (0.45) MTORPIK3CA
SCHEMBL16388793 0.78 PIK3CA (0.37) ATRMTORPIK3CDPIK3CA
SCHEMBL2599581 0.77 PIK3C3 (0.45) PIK3C3ATRMTOR
SCHEMBL16388498 0.76 MTOR (0.37) PIK3C3MTORPIK3CDPIK3CA
SCHEMBL16388748 0.72 PIK3C3 (0.48) PIK3C3ATRPIK3CDPIK3CA
SCHEMBL2599609 0.72 PIK3C3 (0.48) PIK3C3ATRMTORPIK3CDPIK3CA
SCHEMBL14087877 0.72 PIK3C3 (0.48) PIK3C3MTORPIK3CA
SCHEMBL2599611 0.72 PIK3C3 (0.48) PIK3C3ATRMTORPIK3CDPIK3CA

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