SCHEMBL1704884

SCHEMBL1704884

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(Nc4cc(N)ncn4)n3)ccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 6/20 0.50
MAP4K4 O95819 1/20 0.47
TBK1 Q9UHD2 6/20 0.45
KIT P10721 2/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
ACHE P22303 2/20 0.44
LRRK2 Q5S007 1/20 0.42
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 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
SCHEMBL901697 0.88 KARS1 (0.65) KARS1TBK1CKS1BSKP1SKP2
SCHEMBL901785 0.87 KARS1 (0.53) KARS1
SCHEMBL1704909 0.86 KARS1 (0.67) KARS1TBK1
SCHEMBL1704599 0.86 CKS1B (0.51) MAP4K4KITCKS1BSKP1SKP2
SCHEMBL1704340 0.85 KARS1 (0.64) KARS1CKS1BSKP1SKP2
SCHEMBL901674 0.85 KARS1 (0.62) KARS1TBK1CKS1BSKP1SKP2
SCHEMBL1704773 0.85 KARS1 (0.51) KARS1TBK1CKS1BSKP1SKP2
SCHEMBL1704297 0.80 SYK (0.53) KARS1MAP4K4TBK1CKS1BSKP1
SCHEMBL1704227 0.79 KARS1 (0.73) KARS1
SCHEMBL901333 0.77 KARS1 (0.65) KARS1TBK1KITCKS1BSKP1

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