SCHEMBL901409

SCHEMBL901409

O=C(O)N1CC2CC1CN2c1cc(-c2nc(Nc3cnccn3)cc3ccccc23)ccn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.41
TYK2 P29597 3/20 0.36
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
JAK1 P23458 2/20 0.33
JAK2 O60674 1/20 0.33
MAP3K13 O43283 1/20 0.33
MAP3K12 Q12852 1/20 0.33
HDAC1 Q13547 1/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL1704584 0.89 PARP1 (0.45) KARS1TYK2WNT1GSK3BDYRK1A
SCHEMBL1704237 0.83 WNT1 (0.41) KARS1WNT1GSK3BDYRK1A
SCHEMBL1755675 0.83 WNT1 (0.41) KARS1WNT1GSK3BDYRK1A
SCHEMBL12469310 0.82 KARS1 (0.56) KARS1TYK2MAP3K13MAP3K12
SCHEMBL901702 0.79 KARS1 (0.51) KARS1DYRK1A
SCHEMBL901846 0.79 KARS1 (0.46) KARS1
SCHEMBL901300 0.79 KARS1 (0.49) KARS1
SCHEMBL901253 0.78 KARS1 (0.65) KARS1TYK2WNT1GSK3BDYRK1A
SCHEMBL11963365 0.76 HDAC1 (0.33) KARS1TYK2GSK3BDYRK1AJAK1
SCHEMBL901885 0.76 KARS1 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed