SCHEMBL13768258

SCHEMBL13768258

CC(C)(O)C#Cc1ccc(N)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 4/20 0.43
PIKFYVE Q9Y2I7 6/20 0.42
PAK4 O96013 5/20 0.42
PAK1 Q13153 2/20 0.41
PKN1 Q16512 1/20 0.41
ASIC3 Q9UHC3 1/20 0.38
MAP3K14 Q99558 6/20 0.38
PRKX P51817 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TSSK3 Q96PN8 1/20 0.36
TSSK1B Q9BXA7 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
PAK6 Q9NQU5 1/20 0.36
PAK5 Q9P286 1/20 0.36
TAOK2 Q9UL54 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALK Q9UM73 1/20 0.36
BACE1 P56817 1/20 0.36
KCNH2 Q12809 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
SCHEMBL1466752 0.85 PAK4 (0.42) TTBK1PIKFYVEPAK4PAK1PKN1
SCHEMBL14282689 0.84 TTBK1 (0.41) TTBK1PIKFYVEPAK4PAK1PKN1
SCHEMBL278879 0.84 TTBK1 (0.41) TTBK1PIKFYVEPAK4PAK1PKN1
SCHEMBL3771763 0.80 PTGES2 (0.45) TTBK1PIKFYVEPAK4PAK1PKN1
SCHEMBL12391039 0.79 ASIC3 (0.50) TTBK1PIKFYVEASIC3MAP3K14LMNA
SCHEMBL14949230 0.78 PIKFYVE (0.45) TTBK1PIKFYVEPAK4PAK1PKN1
SCHEMBL3448180 0.78 APP (0.54) TTBK1PIKFYVEPAK4PAK1PKN1
SCHEMBL30092382 0.76 MAP3K14 (0.45) TTBK1PIKFYVEPAK4PAK1PKN1
SCHEMBL471131 0.76 MAP3K14 (0.45) TTBK1PIKFYVEPAK4PAK1PKN1
SCHEMBL11443850 0.75 HAO1 (0.46) TTBK1PIKFYVEPAK4PAK1PKN1

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-9976088-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element having the same CHI MEI CORPORATION (TW) 2018-05-22 US disclosed
US-20170029703-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THE SAME CHI MEI CORPORATION (TW) 2017-02-02 US disclosed
WO-2009082347-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2009-07-02 WO disclosed