SCHEMBL3457057

SCHEMBL3457057

CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccccc3-c3ccncc3)ccc2-c2ccc(-c3cccc4c3C(CCCCCC)(CCCCCC)c3ccccc3-4)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.39
GCGR P47871 2/20 0.34
MAPK14 Q16539 1/20 0.34
CYP3A4 P08684 2/20 0.33
KCNQ2 O43526 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.31
PTPN11 Q06124 1/20 0.31
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
MMP8 P22894 2/20 0.30
MMP13 P45452 2/20 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
SCHEMBL3457110 0.94 PDK2 (0.42) PDK2GCGRMAPK14CYP3A4KCNQ2
SCHEMBL3456617 0.85 GCGR (0.37) PDK2GCGRMAPK14CYP3A4CYP2D6
SCHEMBL5498044 0.85 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL3456907 0.84 PDK2 (0.39) PDK2GCGRMAPK14CYP3A4TSHR
SCHEMBL25357281 0.82 MMP2 (0.41) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL8405373 0.82 CYP3A4 (0.44) PDK2GCGRMAPK14CYP3A4TSHR
SCHEMBL1994589 0.82 PDK2 (0.41) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL28006780 0.80 SOAT1 (0.43) CYP2C9MMP2MMP9MMP8MMP13
SCHEMBL28134197 0.78 MMP2 (0.35) PDK2CYP2C9PTPN11MMP2MMP9
SCHEMBL28150865 0.78 ESR1 (0.37) PDK2MAPK14CYP3A4MMP2MMP9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264123-B1 PROCESS FOR THE PREPARATION OF SOLUTION-PROCESSABLE PHOSPHORESCENT MATERIALS CAMBRIDGE ENTPR LTD (GB) 2016-12-28 EP disclosed
EP-1501907-B1 SOLUTION-PROCESSABLE PHOSPHORESCENT MATERIALS CAMBRIDGE ENTPR LTD (GB) 2016-07-27 EP disclosed
US-9023978-B2 Solution-processable phosphorescent materials CAMBRIDGE ENTERPRISE LTD. (GB) 2015-05-05 US disclosed
EP-2264123-A2 Solution-processable phosphorescent materials Cambridge Display Technology Limited (GB) 2010-12-22 EP disclosed
US-20060063026-A1 Solution-processable phosphorescent materials CAMBRIDGE ENTERPRISE LTD (GB) 2006-03-23 US disclosed
EP-1501907-A2 SOLUTION-PROCESSABLE PHOSPHORESCENT MATERIALS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2005-02-02 EP disclosed
WO-2003091355-A2 SOLUTION-PROCESSABLE PHOSPHORESCENT MATERIALS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2003-11-06 WO disclosed