SCHEMBL15945815

SCHEMBL15945815

Cc1ccc2c(c1)C(C)(C)c1ccc3cc4c5c(ccc6cc-2c1c3c65)C(C)(C)c1cc(C(F)(F)F)ccc1-4

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.37
KIF11 P52732 2/20 0.35
NPBWR1 P48145 1/20 0.31
TDP2 O95551 1/20 0.31
ALK Q9UM73 1/20 0.31
MCL1 Q07820 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
SCHEMBL15947786 0.93 TDP2 (0.34) TDP2ALK
SCHEMBL15945840 0.81 PDK2 (0.35) PDK2KIF11ALK
SCHEMBL13324397 0.76 GPR3 (0.41) PDK2KIF11TDP2
SCHEMBL10057836 0.74 PDK2 (0.37) PDK2KIF11NPBWR1
SCHEMBL20779079 0.74 PDK2 (0.46) PDK2KIF11NPBWR1TDP2MCL1
SCHEMBL15947785 0.73 CYP11B2 (0.34) TDP2ALK
SCHEMBL22780261 0.72 TSHR (0.45) PDK2
SCHEMBL4368315 0.71 PDK2 (0.46) PDK2
SCHEMBL13326299 0.69 PDK2 (0.45) PDK2KIF11TDP2
SCHEMBL16153251 0.69 PDK2 (0.32) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608207-B2 Organic electroluminescence element UDC IRELAND LIMITED (IE) 2017-03-28 US disclosed
US-20140299851-A1 Organic Electroluminescence Element UDC IRELAND LIMITED (IE) 2014-10-09 US disclosed
US-20140225085-A1 Organoelectroluminescent Element, and Light Emission Device, Display Device, and Illumination Device in which Said Organoelectroluminescent Element is Used UDC IRELAND LIMITED (IE) 2014-08-14 US disclosed