SCHEMBL19297751

SCHEMBL19297751

COc1cc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)CS4(=O)=O)n2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.54
EGFR P00533 4/20 0.52
ITK Q08881 3/20 0.52
JAK2 O60674 3/20 0.51
JAK1 P23458 3/20 0.51
JAK3 P52333 3/20 0.51
AURKA O14965 3/20 0.51
ADORA3 P0DMS8 2/20 0.51
TYRO3 Q06418 2/20 0.51
PLK1 P53350 2/20 0.51
PLK4 O00444 2/20 0.51
STK16 O75716 2/20 0.51
RET P07949 2/20 0.51
FLT3 P36888 2/20 0.51
MAPK8 P45983 2/20 0.51
MAPK9 P45984 2/20 0.51
MST1R Q04912 2/20 0.51
PTK2 Q05397 2/20 0.51
TNK1 Q13470 2/20 0.51
IKBKE Q14164 2/20 0.51

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
SCHEMBL19297713 0.91 BCL6 (0.48) SYKEGFRITKJAK2JAK1
SCHEMBL19297738 0.90 SYK (0.56) SYKEGFRJAK2JAK1JAK3
SCHEMBL19297723 0.89 BCL6 (0.59) SYKEGFRPLK1PTK2STK17B
SCHEMBL19297737 0.87 AURKA (0.51) SYKEGFRAURKACDK1PTK2B
SCHEMBL14837338 0.85 SYK (0.55) SYKEGFRITKJAK2JAK1
SCHEMBL19297724 0.84 SYK (0.53) SYKEGFRITKJAK2JAK1
SCHEMBL19297725 0.82 SYK (0.56) SYKEGFRITKJAK2JAK1
SCHEMBL12439735 0.81 SYK (0.58) SYKEGFRJAK2JAK3AURKA
SCHEMBL19297716 0.81 SYK (0.68) SYKAURKAMAPK8AURKB
SCHEMBL12389643 0.81 SYK (0.58) SYKEGFRCDC7ROCK2CDK1

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-9751893-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2017-09-05 US claimed