SCHEMBL1705028

SCHEMBL1705028

CCOC(=O)CCc1ccc(OCc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.45
WNT3A P56704 2/20 0.41
GPR119 Q8TDV5 2/20 0.40
TBK1 Q9UHD2 2/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL1704925 0.92 KARS1 (0.47) KARS1WNT3AGPR119TBK1SYK
SCHEMBL901836 0.91 KARS1 (0.48) KARS1SYK
SCHEMBL1704262 0.83 KARS1 (0.51) KARS1WNT3AGPR119TBK1SYK
SCHEMBL1704675 0.83 KARS1 (0.51) KARS1WNT3AGPR119TBK1SYK
SCHEMBL1704770 0.81 KARS1 (0.59) KARS1WNT3AGPR119TBK1SYK
SCHEMBL902995 0.80 KARS1 (0.67) KARS1WNT3AGPR119TBK1SYK
SCHEMBL1704732 0.80 KARS1 (0.52) KARS1GPR119TBK1SYK
SCHEMBL1705215 0.79 KARS1 (0.62) KARS1WNT3AGPR119TBK1SYK
SCHEMBL1704933 0.79 KARS1 (0.53) KARS1GPR119TBK1SYK
SCHEMBL901333 0.79 KARS1 (0.65) KARS1GPR119TBK1SYK

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