SCHEMBL9952628

SCHEMBL9952628

CNC(=O)c1ccc(-c2c(C)c(Cl)cc(CCNc3ncnc4[nH]cnc34)c2OC)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.38
MTOR P42345 5/20 0.35
PIK3CA P42336 3/20 0.35
PTK2 Q05397 1/20 0.33
MET P08581 1/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 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
USP2 O75604 1/20 0.32
CLK4 Q9HAZ1 1/20 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
SCHEMBL9953708 0.88 MTOR (0.35) PIK3CDMTORPIK3CAPTK2MET
SCHEMBL9953812 0.87 PIK3CD (0.37) PIK3CDTSHRMAPTSMN1; SMN2HTT
SCHEMBL9954226 0.86 PIK3CD (0.36) PIK3CDMTORMETLMNABRD4
SCHEMBL9952872 0.85 KMO (0.38) MTORPIK3CAHSD17B10ALDH1A1LMNA
SCHEMBL9952102 0.85 PIK3CD (0.37) PIK3CDTSHRMAPTSMN1; SMN2HTT
SCHEMBL9952453 0.85 PIK3CD (0.42) PIK3CDTSHRMAPTSMN1; SMN2HTT
SCHEMBL9952281 0.85 CYP1A2 (0.37) PIK3CDMTORPIK3CAMAPTSMN1; SMN2
SCHEMBL9952100 0.84 PIK3CD (0.42) PIK3CDTSHRMAPTSMN1; SMN2HTT
SCHEMBL9953050 0.84 PIK3CD (0.39) PIK3CDTSHRMAPTSMN1; SMN2HTT
SCHEMBL9952091 0.83 CNR1 (0.38) PIK3CDMTORPIK3CABRD4

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