SCHEMBL901708

SCHEMBL901708

c1ccc2c(-c3ccnc(N4CCNCC4)c3)nc(Nc3cnccn3)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 17/20 0.66
PRKD1 Q15139 2/20 0.42
PRKD2 Q9BZL6 1/20 0.42
DYRK1A Q13627 1/20 0.41

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
SCHEMBL902032 0.88 KARS1 (0.52) KARS1PRKD1
SCHEMBL901245 0.87 KARS1 (0.52) KARS1PRKD1
SCHEMBL901861 0.86 KARS1 (0.66) KARS1PRKD1PRKD2DYRK1A
SCHEMBL1704872 0.86 KARS1 (0.48) KARS1PRKD1PRKD2DYRK1A
SCHEMBL901736 0.85 KARS1 (0.51) KARS1PRKD1
SCHEMBL901702 0.85 KARS1 (0.51) KARS1DYRK1A
SCHEMBL1755605 0.85 KARS1 (0.52) KARS1PRKD1PRKD2DYRK1A
SCHEMBL902796 0.85 KARS1 (0.47) KARS1PRKD1DYRK1A
SCHEMBL901688 0.85 KARS1 (0.48) KARS1
SCHEMBL901846 0.84 KARS1 (0.46) KARS1

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 4 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 claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
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