SCHEMBL901752

SCHEMBL901752

Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 16/20 0.73
DYRK1A Q13627 1/20 0.40
SLC6A7 Q99884 1/20 0.39
PRKD1 Q15139 2/20 0.39
PRKD2 Q9BZL6 2/20 0.39

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
SCHEMBL902003 0.89 KARS1 (0.61) KARS1SLC6A7PRKD1PRKD2
SCHEMBL901857 0.88 KARS1 (0.57) KARS1DYRK1ASLC6A7PRKD1PRKD2
SCHEMBL901988 0.87 KARS1 (0.55) KARS1DYRK1ASLC6A7
SCHEMBL902013 0.87 KARS1 (0.58) KARS1PRKD1PRKD2
SCHEMBL1704272 0.87 KARS1 (0.74) KARS1DYRK1ASLC6A7
SCHEMBL901333 0.87 KARS1 (0.65) KARS1
SCHEMBL902051 0.87 KARS1 (0.55) KARS1
SCHEMBL902071 0.87 KARS1 (0.72) KARS1
SCHEMBL902224 0.86 KARS1 (0.55) KARS1DYRK1A
SCHEMBL901757 0.86 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