SCHEMBL17990863

SCHEMBL17990863

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(ccc6c7ccccc7sc56)cc43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ MAPT P10636 5/20 0.32
▸ L3MBTL1 Q9Y468 4/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ATM Q13315 2/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALOX5 P09917 1/20 0.30
▸ ADORA2A P29274 2/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL17990934 0.87 KMT2A (0.35) TNKSTNKS2MAPTL3MBTL1NPSR1
SCHEMBL17427617 0.86 TNKS (0.35) TNKSTNKS2MAPTL3MBTL1MAPK1
SCHEMBL18666216 0.86 MAPT (0.38) TNKSTNKS2MAPTMAPK1NPSR1
SCHEMBL17991009 0.86 KDM4E (0.41) TNKSTNKS2MAPTL3MBTL1MAPK1
SCHEMBL17990856 0.85 TNKS (0.33) TNKSTNKS2MAPTL3MBTL1KDM4E
SCHEMBL18665879 0.85 TNKS (0.33) TNKSTNKS2MAPT
SCHEMBL19961620 0.85 TNKS (0.34) TNKSTNKS2MAPTL3MBTL1MAPK1
SCHEMBL10014526 0.85 GPR3 (0.35) TNKSTNKS2MAPTL3MBTL1MAPK1
SCHEMBL17012630 0.84 GPR3 (0.34) TNKSTNKS2MAPTL3MBTL1MAPK1
SCHEMBL2603658 0.84 TNKS (0.35) TNKSTNKS2MAPTL3MBTL1MAPK1

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
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 — — US disclosed
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 — — US disclosed
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