SCHEMBL9953754

SCHEMBL9953754

COc1c(-c2ccccc2)c(C)c(F)c(C(=O)NC2CC2)c1C(C)Nc1ncnc2[nH]cnc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
BTK Q06187 6/20 0.34
PIK3CA P42336 4/20 0.33
PIK3CB P42338 4/20 0.33
PIK3CG P48736 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK14 Q16539 2/20 0.33
PTK2 Q05397 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL9952078 0.80 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9929201 0.79 PIK3CD (0.43) PIK3CDBTKMAPK14
SCHEMBL9929099 0.77 PIK3CD (0.54) PIK3CDBTKMAPK14
SCHEMBL9961003 0.77 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL21486193 0.77 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9929795 0.75 PIK3CD (0.43) PIK3CDBTKPIK3CAPIK3CBMAPK14
SCHEMBL9928776 0.73 PIK3CD (0.48) PIK3CDCNR1CNR2
SCHEMBL9929413 0.73 MAPK14 (0.40) BTKMAPK14
SCHEMBL9929153 0.68 PIK3CD (0.55) PIK3CDPIK3CBPIK3CG
SCHEMBL9953267 0.68 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPIK3CG

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