SCHEMBL14108697

SCHEMBL14108697

COc1ccc(CNc2ccc(C)c(C)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 5/20 0.56
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 1/20 0.55
CLK1 P49759 1/20 0.54
DYRK1A Q13627 2/20 0.49
PTGDR Q13258 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL412384 0.78 CLK4 (0.52) CLK4NPC1RAB9AMAPTL3MBTL1
SCHEMBL19886460 0.77 CLK4 (0.70) CLK4NPC1RAB9AMAPTLMNA
SCHEMBL21682139 0.76 NPC1 (0.59) CLK4NPC1RAB9AMAPTLMNA
SCHEMBL2308761 0.76 NPC1 (0.68) CLK4NPC1RAB9AMAPTL3MBTL1
SCHEMBL3669945 0.75 NPC1 (0.63) CLK4NPC1RAB9AMAPTL3MBTL1
SCHEMBL19407789 0.75 CLK4 (0.72) CLK4NPC1RAB9AMAPTLMNA
SCHEMBL2563374 0.75 CLK4 (0.52) CLK4NPC1RAB9AMAPTL3MBTL1
SCHEMBL27053324 0.75 NPC1 (0.47) CLK4NPC1RAB9AMAPTL3MBTL1
SCHEMBL4300168 0.74 MEN1 (0.56) CLK4NPC1RAB9AMAPTL3MBTL1
SCHEMBL20489500 0.74 MAPT (0.57) CLK4NPC1RAB9AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393851-B2 Azaindole derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2008-07-01 US disclosed