SCHEMBL1704417

SCHEMBL1704417

Cc1cc(Nc2cccc(-c3ccnc(N4CCNCC4)c3)n2)n[nH]1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 15/20 0.76
ITK Q08881 1/20 0.47
JAK2 O60674 1/20 0.46
AURKA O14965 3/20 0.46
AURKB Q96GD4 1/20 0.45
RIPK1 Q13546 1/20 0.44

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
SCHEMBL901824 0.86 KARS1 (1.00) KARS1
SCHEMBL1705645 0.85 KARS1 (0.56) KARS1ITKJAK2AURKAAURKB
SCHEMBL1704207 0.84 KARS1 (0.66) KARS1ITKJAK2AURKAAURKB
SCHEMBL902162 0.83 KARS1 (1.00) KARS1
SCHEMBL902600 0.82 KARS1 (1.00) KARS1
SCHEMBL1704227 0.81 KARS1 (0.73) KARS1
SCHEMBL1704773 0.81 KARS1 (0.51) KARS1
SCHEMBL901740 0.80 KARS1 (1.00) KARS1
SCHEMBL1704457 0.78 ITK (0.55) KARS1ITKAURKAAURKB
SCHEMBL902289 0.76 ITK (0.54) KARS1ITKAURKAAURKB

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 3 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 claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed