SCHEMBL902839

SCHEMBL902839

CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cccc(Nc4cc(C(F)(F)F)ccn4)n3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.60
KARS1 Q15046 2/20 0.51
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PTK2 Q05397 1/20 0.47
MAP3K12 Q12852 7/20 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
SCHEMBL902272 0.89 SYK (0.53) SYKKARS1MAP3K12
SCHEMBL901953 0.88 KARS1 (0.56) SYKKARS1MAP3K12
SCHEMBL1705310 0.86 KARS1 (0.48) SYKKARS1JAK2JAK3PTK2
SCHEMBL902237 0.85 KARS1 (0.67) SYKKARS1JAK2JAK3
SCHEMBL1704909 0.84 KARS1 (0.67) SYKKARS1
SCHEMBL1705277 0.81 JAK2 (0.44) SYKJAK2JAK3PTK2
SCHEMBL16220351 0.79 SYK (0.62) SYKMAP3K12
SCHEMBL901925 0.79 KARS1 (0.67) SYKKARS1MAP3K12
SCHEMBL901734 0.77 HTT (0.46) JAK2JAK3PTK2
SCHEMBL901929 0.77 KARS1 (0.55) SYKKARS1MAP3K12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed