SCHEMBL3852709

SCHEMBL3852709

Cc1cc(C)cc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(C)(C)O4)n2)c1.Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.60
JAK3 P52333 5/20 0.58
JAK1 P23458 4/20 0.58
TYRO3 Q06418 3/20 0.52
ADORA3 P0DMS8 2/20 0.52
EGFR P00533 4/20 0.50
JAK2 O60674 3/20 0.50
LCK P06239 3/20 0.50
LYN P07948 3/20 0.50
FGFR4 P22455 2/20 0.50
AURKA O14965 5/20 0.47
PLK4 O00444 2/20 0.47
PDPK1 O15530 2/20 0.47
DAPK3 O43293 2/20 0.47
PAK4 O96013 2/20 0.47
ERBB2 P04626 2/20 0.47
NTRK1 P04629 2/20 0.47
PRKCG P05129 2/20 0.47
INSR P06213 2/20 0.47
FYN P06241 2/20 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
SCHEMBL2104246 0.91 ADORA3 (0.62) SYKJAK3JAK1TYRO3ADORA3
SCHEMBL2105664 0.89 SYK (0.73) SYKJAK3JAK1TYRO3ADORA3
SCHEMBL2104145 0.89 SYK (0.62) SYKJAK3JAK1TYRO3ADORA3
SCHEMBL2103190 0.85 SYK (0.72) SYKJAK3JAK1TYRO3ADORA3
SCHEMBL2102238 0.83 SYK (0.67) SYKJAK3JAK1TYRO3ADORA3
SCHEMBL2103470 0.83 SYK (0.69) SYKJAK3JAK1TYRO3ADORA3
SCHEMBL2103810 0.82 ADORA3 (0.65) SYKJAK3JAK1TYRO3ADORA3
SCHEMBL2102411 0.82 SYK (0.67) SYKJAK3JAK1TYRO3ADORA3
SCHEMBL2104040 0.82 SYK (0.60) SYKJAK3JAK1TYRO3ADORA3
SCHEMBL658794 0.81 SYK (0.71) SYKJAK3JAK1EGFRJAK2

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
EP-2130541-A2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds Rigel Pharmaceuticals, Inc. (US) 2009-12-09 EP claimed