SCHEMBL901335

SCHEMBL901335

COC(=O)[C@H](CC(=O)Nc1cc(Nc2cnccn2)nc(-c2cccc(C3=CCN(C(=O)O)CC3)c2)c1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 11/20 0.44
CDK9 P50750 3/20 0.36
NAMPT P43490 1/20 0.35
WNT3A P56704 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL1704897 0.93 KARS1 (0.42) KARS1NAMPTWNT3ALNPEP
SCHEMBL902876 0.87 KARS1 (0.43) KARS1NAMPTWNT3A
SCHEMBL902874 0.87 KARS1 (0.43) KARS1NAMPTWNT3A
SCHEMBL902144 0.84 KARS1 (0.59) KARS1
SCHEMBL901769 0.82 KARS1 (0.60) KARS1NAMPT
SCHEMBL901948 0.80 KARS1 (0.46) KARS1CDK9NAMPT
SCHEMBL1755672 0.80 KARS1 (0.49) KARS1CDK9WNT3A
SCHEMBL1704353 0.78 KARS1 (0.55) KARS1WNT3A
SCHEMBL1704842 0.77 KARS1 (0.52) KARS1CDK9NAMPT
SCHEMBL1704307 0.77 KARS1 (0.49) KARS1NAMPT

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