SCHEMBL901382

SCHEMBL901382

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(NC(=O)c4ccc(C(=O)O)nc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.75
TBK1 Q9UHD2 1/20 0.45
GPR119 Q8TDV5 1/20 0.41
SYK P43405 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
DYRK1A Q13627 1/20 0.39
WNT3A P56704 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
SCHEMBL1704874 0.94 KARS1 (0.66) KARS1TBK1GPR119SYKMEN1
SCHEMBL902626 0.93 KARS1 (0.73) KARS1TBK1GPR119SYKDYRK1A
SCHEMBL1704251 0.91 KARS1 (0.73) KARS1TBK1GPR119SYKDYRK1A
SCHEMBL1705003 0.90 KARS1 (0.65) KARS1TBK1GPR119SYKDYRK1A
SCHEMBL1705312 0.90 KARS1 (0.73) KARS1TBK1GPR119SYKABL1
SCHEMBL902673 0.90 KARS1 (0.65) KARS1TBK1GPR119SYKABL1
SCHEMBL1704942 0.90 KARS1 (0.64) KARS1TBK1GPR119SYKWNT3A
SCHEMBL901379 0.90 KARS1 (0.64) KARS1TBK1GPR119SYKDYRK1A
SCHEMBL1704600 0.89 KARS1 (0.73) KARS1TBK1GPR119SYKDYRK1A
SCHEMBL1704921 0.89 KARS1 (0.63) KARS1TBK1GPR119SYKMAPT

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