SCHEMBL1705093

SCHEMBL1705093

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(N4CCC(O)CC4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.53
GPR119 Q8TDV5 3/20 0.49
SYK P43405 2/20 0.47
LRRK2 Q5S007 1/20 0.42
TBK1 Q9UHD2 1/20 0.41

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
SCHEMBL1704616 0.93 KARS1 (0.53) KARS1GPR119SYKLRRK2
SCHEMBL902088 0.88 KARS1 (0.56) KARS1SYK
SCHEMBL902904 0.88 KARS1 (0.57) KARS1GPR119SYKTBK1
SCHEMBL901333 0.86 KARS1 (0.65) KARS1GPR119SYKLRRK2TBK1
SCHEMBL1704341 0.86 KARS1 (0.55) KARS1GPR119SYK
SCHEMBL1704732 0.86 KARS1 (0.52) KARS1GPR119SYKLRRK2TBK1
SCHEMBL901508 0.86 KARS1 (0.56) KARS1GPR119SYKLRRK2TBK1
SCHEMBL902995 0.86 KARS1 (0.67) KARS1GPR119SYKLRRK2TBK1
SCHEMBL1704453 0.86 KARS1 (0.52) KARS1GPR119SYKLRRK2TBK1
SCHEMBL902972 0.85 KARS1 (0.51) KARS1GPR119SYKLRRK2TBK1

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