SCHEMBL3837612

SCHEMBL3837612

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

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.73
EGFR P00533 2/20 0.73
JAK2 O60674 1/20 0.73
LCK P06239 1/20 0.73
LYN P07948 1/20 0.73
FGFR4 P22455 1/20 0.73
JAK1 P23458 2/20 0.57
JAK3 P52333 2/20 0.57
AURKA O14965 1/20 0.47
ITK Q08881 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
SCHEMBL3837517 0.92 SYK (0.73) SYKEGFRJAK2LCKLYN
R-343 SCHEMBL2037260 0.85 SYK (1.00) SYKEGFRJAK2LCKLYN
R-343 SCHEMBL31060361 0.85 SYK (1.00) SYKEGFRJAK2LCKLYN
SCHEMBL657903 0.83 SYK (0.71) SYKEGFRJAK2LCKLYN
SCHEMBL2104443 0.82 SYK (0.64) SYKEGFRJAK2LCKLYN
SCHEMBL2101538 0.82 SYK (0.69) SYKEGFRJAK2LCKLYN
SCHEMBL658283 0.80 SYK (0.73) SYKEGFRJAK2LCKLYN
SCHEMBL2785795 0.80 SYK (0.73) SYKEGFRJAK2LCKLYN
SCHEMBL15343489 0.79 SYK (0.72) SYKEGFRJAK2LCKLYN
SCHEMBL12872816 0.79 SYK (0.88) 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