SCHEMBL2745158

SCHEMBL2745158

O=C1COc2cc(Nc3nc(Nc4ccc(-c5ncco5)cc4)ncc3F)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.58
EGFR P00533 2/20 0.44
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KIF11 P52732 1/20 0.41
PTK2B Q14289 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL2746000 0.93 SYK (0.67) SYKEGFRJAK1JAK3AURKA
SCHEMBL2745313 0.93 SYK (0.62) SYKEGFRJAK1JAK3CYP11B1
SCHEMBL2746290 0.86 SYK (0.72) SYKEGFRJAK1JAK3
SCHEMBL2745316 0.84 SYK (0.59) SYKEGFRJAK1JAK3CYP11B1
SCHEMBL2745372 0.81 SYK (0.46) SYKEGFRCYP11B1CYP11B2AURKA
SCHEMBL657850 0.80 SYK (0.86) SYKJAK1JAK3KIF11AURKA
SCHEMBL656397 0.80 SYK (0.86) SYKJAK1JAK3KIF11AURKA
SCHEMBL2745583 0.80 SYK (0.51) SYKEGFR
SCHEMBL2745760 0.79 SYK (0.70) SYKEGFRJAK1JAK3CYP11B1
SCHEMBL2745277 0.79 SYK (0.47) SYKEGFRAURKA

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-8178671-B2 Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine RIGEL PHARMACEUTICALS, INC. (US) 2012-05-15 US claimed