SCHEMBL1704872

SCHEMBL1704872

c1ccc2c(-c3ccnc(N4CCNCC4)c3)nc(Nc3ccncn3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.48
CSNK1D P48730 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
DYRK1A Q13627 1/20 0.41
PRKD1 Q15139 2/20 0.40
BPTF Q12830 1/20 0.40
LRRK2 Q5S007 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL901708 0.86 KARS1 (0.66) KARS1DYRK1APRKD1PRKD2
SCHEMBL901967 0.85 PRKD1 (0.48) KARS1DYRK1APRKD1BPTFLRRK2
SCHEMBL901353 0.85 MAPK1 (0.41) KARS1MAPK14LRRK2
SCHEMBL1755605 0.85 KARS1 (0.52) KARS1DYRK1APRKD1BPTFPRKD2
SCHEMBL902796 0.85 KARS1 (0.47) KARS1DYRK1APRKD1BPTF
SCHEMBL901861 0.84 KARS1 (0.66) KARS1DYRK1APRKD1PRKD2
SCHEMBL1705250 0.80 ACHE (0.47) LRRK2
SCHEMBL902032 0.75 KARS1 (0.52) KARS1PRKD1
SCHEMBL901245 0.73 KARS1 (0.52) KARS1PRKD1
SCHEMBL901736 0.72 KARS1 (0.51) KARS1PRKD1

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 3 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