SCHEMBL17412995

SCHEMBL17412995

C=CC(=O)Nc1cccc(Sc2cnc3[nH]cc(-c4ccc(-c5ccccc5)nc4)c3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.54
ITK Q08881 6/20 0.54
PLCG1 P19174 11/20 0.49
JAK3 P52333 3/20 0.47

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
SCHEMBL17412986 0.93 PLCG1 (0.59) BTKITKPLCG1JAK3
SCHEMBL17412951 0.90 PLCG1 (0.59) BTKITKPLCG1JAK3
SCHEMBL17413093 0.89 BTK (0.47) BTKITKPLCG1JAK3
SCHEMBL17412953 0.84 BTK (0.51) BTKITKPLCG1JAK3
SCHEMBL17413001 0.82 MAPK1 (0.52) BTKITKPLCG1JAK3
SCHEMBL17413199 0.78 PLCG1 (0.49) BTKITKPLCG1JAK3
SCHEMBL17413094 0.77 BTK (0.43) BTKITKPLCG1JAK3
SCHEMBL17413002 0.77 ITK (0.51) BTKITKPLCG1
SCHEMBL17412904 0.77 BTK (0.49) BTKITKPLCG1JAK3
SCHEMBL17413090 0.77 BTK (0.49) BTKITKPLCG1JAK3

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
WO-2016000615-A1 HETEROARYL COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-01-07 WO disclosed