SCHEMBL1704584

SCHEMBL1704584

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
HDAC1 Q13547 2/20 0.44
RET P07949 2/20 0.39
MAPK8 P45983 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
KARS1 Q15046 8/20 0.37
MAP3K13 O43283 1/20 0.36
MAP3K12 Q12852 1/20 0.36
TYK2 P29597 1/20 0.34
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
BUB1 O43683 1/20 0.33

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
SCHEMBL901409 0.89 KARS1 (0.41) HDAC1KARS1MAP3K13MAP3K12TYK2
SCHEMBL901885 0.84 KARS1 (0.39) GPR119KARS1BUB1
SCHEMBL901704 0.82 CKS1B (0.48) GPR119KARS1
SCHEMBL1704896 0.80 KARS1 (0.60) PARP1HDAC1RETMAPK8KARS1
SCHEMBL11963801 0.79 HDAC1 (0.43) PARP1HDAC1RETMAPK8GPR119
SCHEMBL11963802 0.79 HDAC1 (0.43) PARP1HDAC1RETMAPK8GPR119
SCHEMBL902855 0.79 KARS1 (0.40) GPR119KARS1
SCHEMBL1704520 0.78 KARS1 (0.60) PARP1HDAC1RETMAPK8KARS1
SCHEMBL1705351 0.78 KARS1 (0.52) PARP1HDAC1RETMAPK8KARS1
SCHEMBL1704237 0.77 WNT1 (0.41) KARS1WNT1GSK3BDYRK1A

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