SCHEMBL9952164

SCHEMBL9952164

Cc1c(Cl)cc(CCNc2ncnc3[nH]cnc23)c(-c2cccc(F)c2)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.41
AXL P30530 2/20 0.41
MERTK Q12866 2/20 0.41
MAP4K4 O95819 2/20 0.36
RPS6KB1 P23443 4/20 0.36
AURKA O14965 3/20 0.36
PDPK1 O15530 1/20 0.36
PIK3CG P48736 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
AURKB Q96GD4 1/20 0.35
PIK3R1 P27986 1/20 0.34
PIK3CB P42338 1/20 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
SCHEMBL9951999 0.92 RPS6KB1 (0.33) PIK3CDAXLMERTKRPS6KB1AURKA
SCHEMBL9953781 0.86 PIK3CD (0.39) PIK3CDAXLMERTKMAP4K4PIK3CG
SCHEMBL9960500 0.85 PIK3CD (0.40) PIK3CDAXLMERTKMAP4K4PIK3CG
SCHEMBL9952230 0.84 PIK3CD (0.56) PIK3CDAXLMERTKMAP4K4AURKA
SCHEMBL9952881 0.83 PIK3CD (0.42) PIK3CDAXLMERTKMAP4K4AURKA
SCHEMBL2051140 0.82 PIK3CD (0.45) PIK3CDAXLMERTKMAP4K4RPS6KB1
SCHEMBL9953069 0.82 LMNA (0.42) PIK3CDAXLMERTKMAP4K4
SCHEMBL9929317 0.81 PIK3CD (0.56) PIK3CDAXLMERTKMAP4K4PIK3CG
Trifluoroacetic Acid SCHEMBL9960862 0.81 LMNA (0.38) PIK3CDAXLMERTK
SCHEMBL9953061 0.80 PIK3CD (0.39) PIK3CDAXLMERTKPIK3CG

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