SCHEMBL902750

SCHEMBL902750

c1cc(-c2cccc(Nc3cnccn3)n2)cc(C2CCNCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.64
DYRK1A Q13627 3/20 0.42
GSK3B P49841 2/20 0.42
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
HIPK1 Q86Z02 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
HIPK3 Q9H422 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
HTR2C P28335 1/20 0.39
NMT1 P30419 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
SCHEMBL902828 0.88 KARS1 (0.48) KARS1DYRK1ACLK1CLK2HIPK1
SCHEMBL1704379 0.84 KARS1 (0.62) KARS1HTR2C
SCHEMBL901665 0.82 KARS1 (0.53) KARS1DYRK1AGSK3BCLK2
SCHEMBL901925 0.81 KARS1 (0.67) KARS1HTR2C
SCHEMBL1704501 0.79 HTR2C (0.45) KARS1DYRK1AGSK3BCLK1CLK2
SCHEMBL901632 0.78 KARS1 (1.00) KARS1
SCHEMBL1705310 0.77 KARS1 (0.48) KARS1
SCHEMBL901538 0.75 KARS1 (0.60) KARS1HTR2C
SCHEMBL902600 0.75 KARS1 (1.00) KARS1
SCHEMBL902190 0.73 KARS1 (0.58) KARS1CLK1

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