SCHEMBL9953241

SCHEMBL9953241

COc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1-c1ccc(CC#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.39
TSHR P16473 6/20 0.37
MAPT P10636 4/20 0.37
HSD17B10 Q99714 3/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 7/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
USP2 O75604 5/20 0.34
CYP1A2 P05177 5/20 0.34
CYP3A4 P08684 5/20 0.34
CYP2D6 P10635 5/20 0.34
CYP2C9 P11712 5/20 0.34
CYP2C19 P33261 5/20 0.34
PDE5A O76074 3/20 0.34

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
SCHEMBL9953317 0.91 PTGDR (0.37) PIK3CDTSHRMAPTHSD17B10HTT
SCHEMBL9952812 0.90 PIK3CD (0.40) PIK3CDTSHRMAPTHSD17B10HTT
SCHEMBL9952453 0.89 PIK3CD (0.42) PIK3CDTSHRMAPTHSD17B10HTT
SCHEMBL9952100 0.88 PIK3CD (0.42) PIK3CDTSHRMAPTHSD17B10HTT
SCHEMBL21986427 0.86 PIK3CD (0.37) PIK3CDTSHRMAPTHSD17B10HTT
SCHEMBL9953762 0.85 CYP1A2 (0.45) PIK3CDTSHRHSD17B10LMNAMEN1
SCHEMBL9953050 0.84 PIK3CD (0.39) PIK3CDTSHRMAPTHSD17B10HTT
SCHEMBL9952996 0.83 STK4 (0.38) PIK3CDTSHRMAPTHSD17B10HTT
SCHEMBL9953808 0.83 PIK3CD (0.38) PIK3CDTSHRMAPTHSD17B10HTT
SCHEMBL9954220 0.83 PIK3CD (0.38) PIK3CDTSHRMAPTHSD17B10HTT

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