SCHEMBL9953050

SCHEMBL9953050

COc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1-c1ccc(Cl)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.39
TSHR P16473 4/20 0.35
HSD17B10 Q99714 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 8/20 0.34
USP2 O75604 7/20 0.34
CYP1A2 P05177 7/20 0.34
CYP3A4 P08684 7/20 0.34
CYP2D6 P10635 7/20 0.34
CYP2C9 P11712 7/20 0.34
CYP2C19 P33261 7/20 0.34
CLK4 Q9HAZ1 7/20 0.34
HIF1A Q16665 4/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 2/20 0.32

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
SCHEMBL9954220 0.92 PIK3CD (0.38) PIK3CDTSHRHSD17B10HTTSMN1; SMN2
SCHEMBL9953253 0.91 PIK3CD (0.38) PIK3CDTSHRHSD17B10HTTSMN1; SMN2
SCHEMBL9953812 0.90 PIK3CD (0.37) PIK3CDTSHRHSD17B10HTTSMN1; SMN2
SCHEMBL9952453 0.89 PIK3CD (0.42) PIK3CDTSHRHSD17B10HTTSMN1; SMN2
SCHEMBL9952881 0.89 PIK3CD (0.42) PIK3CDTSHRHSD17B10HTTSMN1; SMN2
SCHEMBL9952100 0.89 PIK3CD (0.42) PIK3CDTSHRHSD17B10HTTSMN1; SMN2
SCHEMBL9953808 0.89 PIK3CD (0.38) PIK3CDTSHRHSD17B10HTTSMN1; SMN2
SCHEMBL9952102 0.88 PIK3CD (0.37) PIK3CDTSHRHSD17B10HTTSMN1; SMN2
SCHEMBL9952281 0.88 CYP1A2 (0.37) PIK3CDSMN1; SMN2MAPTLMNAUSP2
SCHEMBL9952996 0.87 STK4 (0.38) PIK3CDTSHRHSD17B10HTTSMN1; SMN2

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