SCHEMBL9952238

SCHEMBL9952238

COc1c(CCNC(=O)O)cc(Cl)c(C)c1C(O)CNC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.36
ADRB1 P08588 3/20 0.36
IMPDH2 P12268 1/20 0.35
SLC2A1 P11166 1/20 0.34
CYP1A2 P05177 2/20 0.34
SLC22A3 O75751 1/20 0.34
ADRB3 P13945 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SHMT2 P34897 1/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
BLM P54132 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 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
SCHEMBL9952389 0.81 SLC2A1 (0.34) IMPDH2SLC2A1SHMT2
SCHEMBL9928964 0.78 ADRB2 (0.39) ADRB2ADRB1IMPDH2CYP1A2SLC22A3
SCHEMBL9952243 0.77 IMPDH2 (0.36) IMPDH2SLC2A1CYP1A2CYP2D6CYP2C19
SCHEMBL9952473 0.75 IMPDH2 (0.41) IMPDH2SLC2A1CYP1A2CYP2D6CYP2C19
SCHEMBL9952754 0.75 IMPDH2 (0.42) IMPDH2SLC2A1CYP1A2CYP2D6CYP2C19
SCHEMBL17138431 0.74 ADRB2 (0.37) ADRB2ADRB1SLC22A3ADRB3KDM4E
SCHEMBL14736249 0.72 IMPDH2 (0.37) IMPDH2KDM4EMEN1GAAKMT2A
SCHEMBL9952391 0.71 SLC2A1 (0.34) IMPDH2SLC2A1CYP1A2CYP2D6CYP2C19
SCHEMBL9952992 0.70 IMPDH2 (0.37) IMPDH2SLC2A1CYP1A2CYP2D6CYP2C19
SCHEMBL9952270 0.68 REN (0.31) SLC2A1KDM4EGAA

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