SCHEMBL9953766

SCHEMBL9953766

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPK8 P45983 9/20 0.34
MAPK9 P45984 6/20 0.34
THRB P10828 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
REN P00797 1/20 0.33
PRKD3 O94806 2/20 0.32
TSHR P16473 1/20 0.32
MAPK10 P53779 2/20 0.32
MAP4K4 O95819 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
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR35 Q9HC97 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL14742217 0.82 CYP1A2 (0.34) HTTLMNAMAPK8MAPK9THRB
SCHEMBL9954200 0.82 HTR2A (0.36) HTTLMNAMAPK8MAPK9THRB
SCHEMBL14742479 0.80 KDM4E (0.32) HTTLMNATHRBPOLBALOX15
SCHEMBL9952825 0.80 MAPK8 (0.36) HTTLMNAMAPK8MAPK9THRB
SCHEMBL9952927 0.76 HTT (0.37) HTTLMNAMAPK8MAPK9THRB
SCHEMBL9952129 0.75 PIK3CD (0.46) MAPK8RENHSP90AB1
SCHEMBL9929200 0.74 TSHR (0.39) HTTLMNAMAPK8MAPK9THRB
SCHEMBL9953841 0.73 LMNA (0.39) HTTLMNATHRBALOX15REN
SCHEMBL28048048 0.72 KDM4E (0.43) HTTLMNATHRBPOLBALOX15
SCHEMBL9952278 0.71 ALDH1A1 (0.38) HTTLMNAALOX15RENTSHR

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