SCHEMBL9953841

SCHEMBL9953841

CCOc1c(CCOC(N)=O)cc(Cl)c(F)c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
BPTF Q12830 1/20 0.34
TSHR P16473 1/20 0.34
REN P00797 1/20 0.33
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
ABL1 P00519 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
RIN1 Q13671 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL9953070 0.80 HTR2A (0.39) LMNAHTTSMN1; SMN2CYP1A2
SCHEMBL9952884 0.75 LMNA (0.33) LMNAHTTALDH1A1L3MBTL1CYP1A2
SCHEMBL9953839 0.74 LMNA (0.39) LMNAHTTBPTFTSHRALDH1A1
SCHEMBL9953766 0.73 HTT (0.36) LMNAHTTTSHRRENALDH1A1
SCHEMBL9929183 0.72 CYP3A4 (0.41) LMNAHTTBPTFTSHRALDH1A1
SCHEMBL28114021 0.71 LMNA (0.38) LMNAHTTBPTFTSHRALDH1A1
SCHEMBL20254981 0.68 PDE2A (0.36) LMNAHTTALDH1A1HPGDMEN1
SCHEMBL9928712 0.68 LMNA (0.34) LMNAHTTALDH1A1CYP1A2CYP3A4
SCHEMBL29688185 0.68 PDE2A (0.36) LMNAHTTALDH1A1HPGDMEN1
SCHEMBL17138433 0.67 ALDH1A1 (0.36) LMNAHTTALDH1A1L3MBTL1HPGD

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