SCHEMBL1704251

SCHEMBL1704251

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(NC(=O)c4ccccc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.73
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
PTPN11 Q06124 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
DYRK1A Q13627 1/20 0.42
SYK P43405 1/20 0.42
TBK1 Q9UHD2 1/20 0.42

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
SCHEMBL902626 0.95 KARS1 (0.73) KARS1CKS1BSKP1SKP2GPR119
SCHEMBL1705312 0.95 KARS1 (0.73) KARS1GPR119DYRK1ASYKTBK1
SCHEMBL902673 0.94 KARS1 (0.65) KARS1CKS1BSKP1SKP2PTPN11
SCHEMBL1704267 0.93 KARS1 (0.63) KARS1GPR119DYRK1ASYKTBK1
SCHEMBL901379 0.93 KARS1 (0.64) KARS1GPR119DYRK1ASYKTBK1
SCHEMBL1704942 0.93 KARS1 (0.64) KARS1GPR119SYKTBK1
SCHEMBL1704600 0.93 KARS1 (0.73) KARS1GPR119DYRK1ASYKTBK1
SCHEMBL903001 0.92 KARS1 (0.62) KARS1GPR119DYRK1ASYKTBK1
SCHEMBL1704921 0.92 KARS1 (0.63) KARS1GPR119SYKTBK1
SCHEMBL1705003 0.92 KARS1 (0.65) KARS1GPR119DYRK1ASYKTBK1

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