SCHEMBL1704237

SCHEMBL1704237

c1ccc2c(-c3ccnc(N4C[C@@H]5C[C@H]4CN5)c3)nc(Nc3cnccn3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
KARS1 Q15046 5/20 0.41
CSNK1E P49674 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
PIM1 P11309 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 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
SCHEMBL1755675 1.00 WNT1 (0.41) WNT1CLK2CLK3GSK3BDYRK1A
SCHEMBL1755670 0.83 KARS1 (0.40) KARS1PIM1ROCK2ROCK1
SCHEMBL901236 0.83 KARS1 (0.40) KARS1PIM1ROCK2ROCK1
SCHEMBL901409 0.83 KARS1 (0.41) WNT1GSK3BDYRK1AKARS1
SCHEMBL901688 0.80 KARS1 (0.48) KARS1ROCK2ROCK1
SCHEMBL901846 0.80 KARS1 (0.46) KARS1
SCHEMBL901300 0.80 KARS1 (0.49) KARS1
SCHEMBL901301 0.79 KARS1 (0.46) KARS1
SCHEMBL902716 0.79 KARS1 (0.46) KARS1
SCHEMBL901708 0.78 KARS1 (0.66) DYRK1AKARS1

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