SCHEMBL1704276

SCHEMBL1704276

O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3C[C@@H]4C[C@H]3CN4)c2)c1)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.68
WNT1 P04628 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
HDAC1 Q13547 1/20 0.41
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
BCR P11274 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
BUB1 O43683 1/20 0.39
BRAF P15056 1/20 0.39
NTRK1 P04629 1/20 0.38
MAP4K1 Q92918 1/20 0.38

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
SCHEMBL901888 0.93 KARS1 (0.68) KARS1WNT1CLK2CLK3GSK3B
SCHEMBL1755607 0.91 KARS1 (0.56) KARS1WNT1CLK2CLK3GSK3B
SCHEMBL1704640 0.90 KARS1 (0.56) KARS1WNT1CLK2CLK3GSK3B
SCHEMBL901253 0.87 KARS1 (0.65) KARS1WNT1GSK3BDYRK1AMAPK8
SCHEMBL1704896 0.82 KARS1 (0.60) KARS1MAPK8MAPK10HDAC1ABL1
SCHEMBL901742 0.81 KARS1 (1.00) KARS1MAPK8MAPK10
SCHEMBL902036 0.81 KARS1 (0.81) KARS1DYRK1AMAPK8MAPK10ABL1
SCHEMBL902768 0.80 KARS1 (0.52) KARS1WNT1CLK2CLK3GSK3B
SCHEMBL1704236 0.80 KARS1 (0.52) KARS1WNT1CLK2CLK3GSK3B
SCHEMBL901867 0.78 KARS1 (0.53) KARS1MAPK8MAPK10BRAF

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