SCHEMBL901882

SCHEMBL901882

CC(C)(C)OC(=O)C[C@H](Cc1ccccc1)NC(=O)c1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.48
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.35
DYRK1A Q13627 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
FAAH O00519 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1704312 0.95 KARS1 (0.48) KARS1ACHETBK1
SCHEMBL1705340 0.92 KARS1 (0.57) KARS1DYRK1ATBK1
SCHEMBL901895 0.90 KARS1 (0.52) KARS1ACHETBK1
SCHEMBL1704239 0.87 KARS1 (0.56) KARS1ACHEDYRK1ATBK1
SCHEMBL902812 0.86 KARS1 (0.49) KARS1ACHE
SCHEMBL1704636 0.85 KARS1 (0.52) KARS1ACHETBK1
SCHEMBL1704395 0.85 KARS1 (0.53) KARS1ACHEGAATBK1FAAH
SCHEMBL902899 0.84 KARS1 (0.47) KARS1ACHEGAA
SCHEMBL901968 0.83 KARS1 (0.65) KARS1
SCHEMBL1704582 0.80 KARS1 (0.53) KARS1ACHETBK1

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