SCHEMBL9952927

SCHEMBL9952927

CCOc1c(C(C)OC(N)=O)cc(Cl)c(C#N)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
MAPK8 P45983 7/20 0.35
MAPK9 P45984 6/20 0.35
PRKD3 O94806 2/20 0.35
PIK3CD O00329 5/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
MAP4K4 O95819 1/20 0.32
MAPK10 P53779 1/20 0.32
MAP4K2 Q12851 1/20 0.32
PKN2 Q16513 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
STK17A Q9UEE5 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
SCHEMBL9929220 0.81 LMNA (0.34) HTTLMNAMAPK8MAPK9PRKD3
SCHEMBL14736127 0.81 POLB (0.33) HTTLMNAMAPK8MAPK9PRKD3
SCHEMBL14736116 0.80 THRB (0.34) HTTLMNAMAPK8MAPK9PRKD3
SCHEMBL9952820 0.79 THRB (0.36) HTTLMNAMAPK8MAPK9PRKD3
SCHEMBL9953766 0.76 HTT (0.36) HTTLMNAMAPK8MAPK9PRKD3
SCHEMBL9929078 0.76 HTT (0.34) HTTLMNAMAPK8MAPK9PRKD3
SCHEMBL9929200 0.75 TSHR (0.39) HTTLMNAMAPK8MAPK9PRKD3
SCHEMBL17138437 0.75 PIK3CD (0.48) MAPK8MAPK9PRKD3PIK3CDADORA2B
SCHEMBL9952127 0.74 PIK3CD (0.53) PIK3CDADORA2BADORA1
SCHEMBL28048048 0.73 KDM4E (0.43) HTTLMNATHRBPOLBALOX15

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