SCHEMBL9953267

SCHEMBL9953267

Cc1c(Cl)c(F)c(C(C)Nc2ncnc3[nH]cnc23)c(-c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CA P42336 2/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
EGFR P00533 3/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CG P48736 3/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 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
SCHEMBL9958646 0.82 PIK3CD (0.35) PIK3CDPIK3CBPIK3CAAXLMERTK
SCHEMBL9959539 0.80 PIK3CD (0.33) PIK3CDPIK3CBPIK3CAAXLMERTK
SCHEMBL9928977 0.77 PIK3CD (0.55) PIK3CDPIK3CBAXLMERTKPIK3CG
SCHEMBL9960561 0.76 PIK3CD (0.45) PIK3CDPIK3CBAXLMERTKPIK3CG
SCHEMBL9961003 0.75 PIK3CD (0.41) PIK3CDPIK3CBPIK3CAEGFRLMNA
SCHEMBL9961011 0.75 HPRT1 (0.35) LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL21486193 0.75 PIK3CD (0.42) PIK3CDPIK3CBPIK3CAAXLMERTK
SCHEMBL9928820 0.74 PIK3CD (0.44) PIK3CDPIK3CBAXLMERTKPIK3CG
Trifluoroacetic Acid SCHEMBL21486179 0.74 PIK3CD (0.41) PIK3CDPIK3CBAXLMERTKPIK3CG
SCHEMBL21486180 0.73 PIK3CD (0.44) PIK3CDPIK3CBAXLMERTKPIK3CG

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