SCHEMBL901656

SCHEMBL901656

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

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.63
WNT3A P56704 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DYRK1A Q13627 1/20 0.37

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
SCHEMBL1704940 0.91 KARS1 (0.60) KARS1WNT3A
SCHEMBL1704420 0.91 KARS1 (0.77) KARS1
SCHEMBL902079 0.90 KARS1 (0.70) KARS1MEN1KMT2ADYRK1A
SCHEMBL901964 0.88 KARS1 (0.67) KARS1
SCHEMBL901834 0.88 KARS1 (0.82) KARS1WNT3ADYRK1A
SCHEMBL901978 0.86 KARS1 (0.65) KARS1MEN1KMT2ADYRK1A
SCHEMBL1705021 0.86 KARS1 (0.61) KARS1WNT3A
SCHEMBL901804 0.85 KARS1 (0.68) KARS1MEN1KMT2ADYRK1A
SCHEMBL902033 0.85 KARS1 (0.72) KARS1MEN1KMT2ADYRK1A
SCHEMBL901757 0.85 KARS1 (0.66) KARS1DYRK1A

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