SCHEMBL901426

SCHEMBL901426

COC(=O)c1cncc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.61
GPR119 Q8TDV5 1/20 0.41
SYK P43405 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
DYRK1A Q13627 2/20 0.40
GSK3B P49841 1/20 0.40
WNT3A P56704 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL901379 0.94 KARS1 (0.64) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL903001 0.94 KARS1 (0.62) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL1705003 0.94 KARS1 (0.65) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL1704600 0.92 KARS1 (0.73) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL1705312 0.91 KARS1 (0.73) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL901978 0.91 KARS1 (0.65) KARS1DYRK1AGSK3BMEN1KMT2A
SCHEMBL1704874 0.90 KARS1 (0.66) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL1704267 0.90 KARS1 (0.63) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL1704251 0.90 KARS1 (0.73) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL1704921 0.90 KARS1 (0.63) KARS1GPR119SYKTBK1

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