Sugi Predict

Sugi Predict / Compounds / SCHEMBL1704239

SCHEMBL1704239

SCHEMBL1704239

CC(C)(C)OC(=O)C[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 13/20 0.56
▸ ACHE P22303 1/20 0.38
▸ TBK1 Q9UHD2 2/20 0.38
▸ SCD O00767 1/20 0.36
▸ SCD5 Q86SK9 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KIT P10721 1/20 0.36

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
SCHEMBL1705340 0.96 KARS1 (0.57) KARS1TBK1DYRK1A
SCHEMBL1704636 0.92 KARS1 (0.52) KARS1ACHETBK1WNT3A
SCHEMBL1704312 0.92 KARS1 (0.48) KARS1ACHETBK1
SCHEMBL901895 0.88 KARS1 (0.52) KARS1ACHETBK1WNT3A
SCHEMBL901882 0.87 KARS1 (0.48) KARS1ACHETBK1DYRK1A
SCHEMBL902673 0.87 KARS1 (0.65) KARS1TBK1DYRK1AABL1PDGFRB
SCHEMBL1704251 0.87 KARS1 (0.73) KARS1TBK1DYRK1A
SCHEMBL1704582 0.87 KARS1 (0.53) KARS1ACHETBK1WNT3A
SCHEMBL1704267 0.86 KARS1 (0.63) KARS1TBK1DYRK1AABL1PDGFRB
SCHEMBL903001 0.85 KARS1 (0.62) KARS1TBK1DYRK1AABL1PDGFRB

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