SCHEMBL9952285

SCHEMBL9952285

COCC(C)c1ccc(-c2c(C)c(Cl)cc(CCNc3ncnc4[nH]cnc34)c2OC)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.39
TSHR P16473 3/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 3/20 0.32
USP2 O75604 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HIF1A Q16665 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL9953095 0.85 PIK3CD (0.40) PIK3CDTSHRMAPTHTTHSD17B10
SCHEMBL9952453 0.85 PIK3CD (0.42) PIK3CDTSHRMAPTHTTHSD17B10
SCHEMBL9953631 0.85 PIK3CD (0.38) PIK3CDTSHRMAPTHTTHSD17B10
SCHEMBL9952100 0.84 PIK3CD (0.42) PIK3CDTSHRMAPTHTTHSD17B10
SCHEMBL21986427 0.84 PIK3CD (0.37) PIK3CDTSHRMAPTHTTHSD17B10
SCHEMBL9952623 0.83 PIK3CD (0.40) PIK3CDTSHRMAPTHTTHSD17B10
SCHEMBL9952280 0.83 PIK3CD (0.40) PIK3CDTSHRMAPTHTTHSD17B10
SCHEMBL21986432 0.82 PIK3CD (0.37) PIK3CDTSHRMAPTHTTHSD17B10
SCHEMBL9953050 0.82 PIK3CD (0.39) PIK3CDTSHRMAPTHTTHSD17B10
SCHEMBL9952812 0.81 PIK3CD (0.40) PIK3CDTSHRMAPTHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP claimed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO claimed
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed