SCHEMBL1704940

SCHEMBL1704940

COC(=O)c1ccc(CC(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.60
WNT3A P56704 5/20 0.52
TBK1 Q9UHD2 1/20 0.40
GPR119 Q8TDV5 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
SCHEMBL1705021 0.94 KARS1 (0.61) KARS1WNT3ATBK1GPR119
SCHEMBL901656 0.91 KARS1 (0.63) KARS1WNT3A
SCHEMBL901379 0.91 KARS1 (0.64) KARS1WNT3ATBK1GPR119
SCHEMBL1704964 0.90 KARS1 (0.74) KARS1WNT3ATBK1GPR119
SCHEMBL1704400 0.89 KARS1 (0.63) KARS1WNT3A
SCHEMBL1705170 0.89 KARS1 (0.56) KARS1WNT3ATBK1
SCHEMBL1704420 0.88 KARS1 (0.77) KARS1
SCHEMBL1705168 0.88 KARS1 (0.56) KARS1WNT3ATBK1
SCHEMBL901426 0.87 KARS1 (0.61) KARS1WNT3ATBK1GPR119
SCHEMBL1705215 0.86 KARS1 (0.62) KARS1WNT3ATBK1GPR119

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