SCHEMBL3837517

SCHEMBL3837517

CC(Oc1cccc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(C)(C)O4)n2)c1)C(N)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.73
EGFR P00533 3/20 0.62
JAK2 O60674 2/20 0.62
LCK P06239 2/20 0.62
LYN P07948 2/20 0.62
FGFR4 P22455 2/20 0.62
JAK1 P23458 3/20 0.56
JAK3 P52333 3/20 0.56
AURKA O14965 2/20 0.47
ITK Q08881 2/20 0.46
BMPR1B O00238 1/20 0.46
CDC7 O00311 1/20 0.46
PIK3CD O00329 1/20 0.46
PLK4 O00444 1/20 0.46
STK25 O00506 1/20 0.46
CIT O14578 1/20 0.46
RIOK3 O14730 1/20 0.46
CHEK1 O14757 1/20 0.46
IKBKB O14920 1/20 0.46
GAK O14976 1/20 0.46

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
SCHEMBL3837612 0.92 SYK (0.73) SYKEGFRJAK2LCKLYN
SCHEMBL3837515 0.85 SYK (1.00) SYKEGFRJAK2LCKLYN
SCHEMBL658794 0.84 SYK (0.71) SYKEGFRJAK2LCKLYN
SCHEMBL2103278 0.82 SYK (0.69) SYKEGFRJAK2LCKLYN
Hydrochloric Acid SCHEMBL2100858 0.81 SYK (0.68) SYKEGFRJAK2LCKLYN
SCHEMBL2102411 0.80 SYK (0.67) SYKEGFRJAK2LCKLYN
SCHEMBL658283 0.80 SYK (0.73) SYKEGFRJAK2LCKLYN
SCHEMBL2105664 0.80 SYK (0.73) SYKEGFRJAK2LCKLYN
SCHEMBL2785795 0.80 SYK (0.73) SYKEGFRJAK2LCKLYN
SCHEMBL2102238 0.79 SYK (0.67) SYKEGFRJAK2LCKLYN

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-1534286-B1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS INC (US) 2009-12-09 EP claimed