SCHEMBL9953035

SCHEMBL9953035

COc1c(CCNC(=O)O)cc(Cl)c(C)c1-c1ccc(CO)nc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
PIK3CD O00329 7/20 0.37
SCN9A Q15858 1/20 0.36
F9 P00740 1/20 0.35
P2RX7 Q99572 2/20 0.35
SLC2A1 P11166 1/20 0.34
GCGR P47871 2/20 0.34
IMPDH2 P12268 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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
SCHEMBL18917317 0.85 HIF1A (0.37) HIF1APIK3CDP2RX7SLC2A1GCGR
SCHEMBL9928955 0.78 PIK3CD (0.47) PIK3CD
SCHEMBL9953631 0.78 PIK3CD (0.38) HIF1APIK3CDMAPTHTT
SCHEMBL17138427 0.73 PIK3CD (0.47) PIK3CD
SCHEMBL14742313 0.73 PIK3CD (0.53) PIK3CDGCGR
SCHEMBL9952473 0.72 IMPDH2 (0.41) HIF1ASLC2A1IMPDH2
SCHEMBL14742450 0.71 PDE10A (0.39) PIK3CDMAPT
SCHEMBL14742496 0.71 PIK3CD (0.55) PIK3CD
SCHEMBL9952249 0.70 HCRTR1 (0.38) PIK3CDP2RX7SLC2A1
SCHEMBL9952754 0.69 IMPDH2 (0.42) HIF1ASLC2A1IMPDH2

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 2 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 disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed