SCHEMBL901980

SCHEMBL901980

COC(=O)c1ccc(Nc2cc(Nc3cc(C(F)(F)F)ccn3)nc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.55
KARS1 Q15046 1/20 0.46
IDH2 P48735 1/20 0.42

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
SCHEMBL901758 0.91 KARS1 (0.49) SYKKARS1IDH2
SCHEMBL1704893 0.83 KARS1 (0.61) SYKKARS1
SCHEMBL1704909 0.83 KARS1 (0.67) SYKKARS1
SCHEMBL1705146 0.82 SYK (0.57) SYKKARS1
SCHEMBL901379 0.81 KARS1 (0.64) SYKKARS1
SCHEMBL902972 0.79 KARS1 (0.51) SYKKARS1
SCHEMBL1704940 0.79 KARS1 (0.60) KARS1
SCHEMBL1704625 0.79 KARS1 (0.61) SYKKARS1
SCHEMBL901426 0.78 KARS1 (0.61) SYKKARS1
SCHEMBL903001 0.77 KARS1 (0.62) SYKKARS1

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