SCHEMBL19297727

SCHEMBL19297727

COc1cc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(C)S4)n2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.54
EGFR P00533 4/20 0.53
ITK Q08881 3/20 0.53
AURKA O14965 5/20 0.51
JAK2 O60674 3/20 0.51
JAK1 P23458 3/20 0.51
JAK3 P52333 3/20 0.51
ADORA3 P0DMS8 2/20 0.51
TYRO3 Q06418 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
MAP3K11 Q16584 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
SCHEMBL19297744 0.91 SYK (0.47) SYKEGFRITKAURKAPTK2
SCHEMBL19297721 0.89 SYK (0.55) SYKEGFRAURKAJAK2JAK1
SCHEMBL19297747 0.87 AURKA (0.52) SYKEGFRAURKACDK1
SCHEMBL14837242 0.85 SYK (0.56) SYKEGFRITKAURKAJAK2
SCHEMBL19297725 0.84 SYK (0.56) SYKEGFRITKAURKAJAK2
SCHEMBL19297724 0.83 SYK (0.53) SYKEGFRITKAURKAJAK2
SCHEMBL27631763 0.82 SYK (0.62) SYKAURKAMAPK8AURKB
SCHEMBL19297729 0.82 SYK (0.62) SYKAURKAMAPK8AURKB
SCHEMBL12389631 0.81 SYK (0.57) SYKEGFRAURKACDC7CDK1
SCHEMBL12440229 0.81 SYK (0.55) SYKULK1CDC7ROCK2ROCK1

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