SCHEMBL20172102

SCHEMBL20172102

Nc1cccc2c3ncccc3n(-c3ccccc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 1/20 0.41
PSMB5 P28074 1/20 0.41
PDE4A P27815 5/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
REN P00797 3/20 0.37
FEN1 P39748 1/20 0.37
ALDH1A1 P00352 2/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL17348573 0.82 KDM4E (0.49) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL18415763 0.82 REN (0.43) HSP90AA1KDM4EATML3MBTL1PDE4A
SCHEMBL17349017 0.82 KDM4E (0.41) HSP90AA1KDM4EATML3MBTL1PDE4A
SCHEMBL15477950 0.79 L3MBTL1 (0.61) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL12396559 0.79 L3MBTL1 (0.61) HSP90AA1KDM4EATML3MBTL1PDE4A
SCHEMBL17490150 0.79 FEN1 (0.48) KDM4EL3MBTL1PDE4APDE4BPDE4C
SCHEMBL20172103 0.79 KDM4E (0.39) HSP90AA1HSP90AB1KDM4EATML3MBTL1
SCHEMBL18958512 0.78 KDM4E (0.44) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL13556831 0.77 KDM4E (0.44) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL17348604 0.77 KDM4E (0.42) KDM4EATML3MBTL1PDE4APDE4B

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
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed